12-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;12-(4-carbazol-9-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;10-[4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-12-yl)phenyl]phenoxazine;N,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-13-amine

C140H86N12O — CID 157166724

IUPAC12-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;12-(4-carbazol-9-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;10-[4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-12-yl)phenyl]phenoxazine;N,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-13-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3c2c2c4ccccc4n4c5ccccc5n3c24)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2ccc3c(c2)c2c4ccccc4n4c5ccccc5n3c24)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3c(c2)c2c4ccccc4n4c5ccccc5n3c24)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1c3ccccc3n3c4ccccc4n2c13
InChIInChI=1S/C38H23N3O.C38H23N3.C32H19N3.C32H21N3/c1-2-10-29-27(9-1)37-28-23-25(19-22-30(28)41-32-12-4-3-11-31(32)40(29)38(37)41)24-17-20-26(21-18-24)39-33-13-5-7-15-35(33)42-36-16-8-6-14-34(36)39;1-4-12-31-27(9-1)28-10-2-5-13-32(28)39(31)26-20-17-24(18-21-26)25-19-22-34-30(23-25)37-29-11-3-6-14-33(29)40-35-15-7-8-16-36(35)41(34)38(37)40;1-4-12-25-21(9-1)22-10-2-5-13-26(22)33(25)20-17-18-28-24(19-20)31-23-11-3-6-14-27(23)34-29-15-7-8-16-30(29)35(28)32(31)34;1-3-12-22(13-4-1)33(23-14-5-2-6-15-23)28-20-11-21-29-31(28)30-24-16-7-8-17-25(24)34-26-18-9-10-19-27(26)35(29)32(30)34/h1-23H;1-23H;1-19H;1-21H
InChIKeyAMZOXOZJKZJPOF-UHFFFAOYSA-N
MW1952.31 g/mol
LogP36.93
Rot. Bonds8

About 12-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;12-(4-carbazol-9-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;10-[4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-12-yl)phenyl]phenoxazine;N,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-13-amine

12-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;12-(4-carbazol-9-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;10-[4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-12-yl)phenyl]phenoxazine;N,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-13-amine (PubChem CID 157166724) has the molecular formula C140H86N12O and a molecular weight of 1952.31 g/mol. Its IUPAC name is 12-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;12-(4-carbazol-9-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;10-[4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-12-yl)phenyl]phenoxazine;N,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-13-amine.

Molecular Properties

Compound Name12-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;12-(4-carbazol-9-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;10-[4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-12-yl)phenyl]phenoxazine;N,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-13-amine
PubChem CID157166724
Molecular FormulaC140H86N12O
Molecular Weight1952.31 g/mol
Exact Mass1950.70
IUPAC Name12-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;12-(4-carbazol-9-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;10-[4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-12-yl)phenyl]phenoxazine;N,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-13-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3c2c2c4ccccc4n4c5ccccc5n3c24)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2ccc3c(c2)c2c4ccccc4n4c5ccccc5n3c24)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3c(c2)c2c4ccccc4n4c5ccccc5n3c24)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1c3ccccc3n3c4ccccc4n2c13
InChIInChI=1S/C38H23N3O.C38H23N3.C32H19N3.C32H21N3/c1-2-10-29-27(9-1)37-28-23-25(19-22-30(28)41-32-12-4-3-11-31(32)40(29)38(37)41)24-17-20-26(21-18-24)39-33-13-5-7-15-35(33)42-36-16-8-6-14-34(36)39;1-4-12-31-27(9-1)28-10-2-5-13-32(28)39(31)26-20-17-24(18-21-26)25-19-22-34-30(23-25)37-29-11-3-6-14-33(29)40-35-15-7-8-16-36(35)41(34)38(37)40;1-4-12-25-21(9-1)22-10-2-5-13-26(22)33(25)20-17-18-28-24(19-20)31-23-11-3-6-14-27(23)34-29-15-7-8-16-30(29)35(28)32(31)34;1-3-12-22(13-4-1)33(23-14-5-2-6-15-23)28-20-11-21-29-31(28)30-24-16-7-8-17-25(24)34-26-18-9-10-19-27(26)35(29)32(30)34/h1-23H;1-23H;1-19H;1-21H
InChIKeyAMZOXOZJKZJPOF-UHFFFAOYSA-N
XLogP36.93
TPSA60.85 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001952.31
LogP ≤ 536.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 12-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;12-(4-carbazol-9-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;10-[4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-12-yl)phenyl]phenoxazine;N,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-13-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;12-(4-carbazol-9-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;10-[4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-12-yl)phenyl]phenoxazine;N,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-13-amine?
The IUPAC name of 12-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;12-(4-carbazol-9-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;10-[4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-12-yl)phenyl]phenoxazine;N,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-13-amine (CID 157166724) is 12-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;12-(4-carbazol-9-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;10-[4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-12-yl)phenyl]phenoxazine;N,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-13-amine.
What is the SMILES notation for 12-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;12-(4-carbazol-9-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;10-[4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-12-yl)phenyl]phenoxazine;N,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-13-amine?
The canonical SMILES for 12-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;12-(4-carbazol-9-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;10-[4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-12-yl)phenyl]phenoxazine;N,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-13-amine is c1ccc(N(c2ccccc2)c2cccc3c2c2c4ccccc4n4c5ccccc5n3c24)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2ccc3c(c2)c2c4ccccc4n4c5ccccc5n3c24)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3c(c2)c2c4ccccc4n4c5ccccc5n3c24)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1c3ccccc3n3c4ccccc4n2c13.
What is the InChIKey of 12-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;12-(4-carbazol-9-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;10-[4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-12-yl)phenyl]phenoxazine;N,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-13-amine?
The InChIKey is AMZOXOZJKZJPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3O.C38H23N3.C32H19N3.C32H21N3/c1-2-10-29-27(9-1)37-28-23-25(19-22-30(28)41-32-12-4-3-11-31(32)40(29)38(37)41)24-17-20-26(21-18-24)39-33-13-5-7-15-35(33)42-36-16-8-6-14-34(36)39;1-4-12-31-27(9-1)28-10-2-5-13-32(28)39(31)26-20-17-24(18-21-26)25-19-22-34-30(23-25)37-29-11-3-6-14-33(29)40-35-15-7-8-16-36(35)41(34)38(37)40;1-4-12-25-21(9-1)22-10-2-5-13-26(22)33(25)20-17-18-28-24(19-20)31-23-11-3-6-14-27(23)34-29-15-7-8-16-30(29)35(28)32(31)34;1-3-12-22(13-4-1)33(23-14-5-2-6-15-23)28-20-11-21-29-31(28)30-24-16-7-8-17-25(24)34-26-18-9-10-19-27(26)35(29)32(30)34/h1-23H;1-23H;1-19H;1-21H.
What are the key properties of 12-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;12-(4-carbazol-9-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;10-[4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-12-yl)phenyl]phenoxazine;N,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-13-amine?
12-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;12-(4-carbazol-9-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;10-[4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-12-yl)phenyl]phenoxazine;N,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-13-amine has a molecular weight of 1952.31 g/mol, XLogP of 36.93, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 12-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;12-(4-carbazol-9-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaene;10-[4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-12-yl)phenyl]phenoxazine;N,N-diphenyl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9(14),10,12,15(22),16,18,20-decaen-13-amine is sourced from PubChem (CID 157166724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).