16-(7-phenylindolo[2,3-b]carbazol-5-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,8,10,13(18),14,16,19(23),20-decaene

C44H27N5 — CID 163412050

IUPAC16-(7-phenylindolo[2,3-b]carbazol-5-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,8,10,13(18),14,16,19(23),20-decaene
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc6c(c5)c5cccc7c5n6C5=Nc6ccccc6NC57)c4cc32)cc1
InChIInChI=1S/C44H27N5/c1-2-11-26(12-3-1)47-37-19-8-4-13-28(37)33-24-34-29-14-5-9-20-38(29)48(41(34)25-40(33)47)27-21-22-39-32(23-27)30-15-10-16-31-42-44(49(39)43(30)31)46-36-18-7-6-17-35(36)45-42/h1-25,42,45H
InChIKeyABIHOTLZTNXKGM-UHFFFAOYSA-N
MW625.74 g/mol
LogP11.05
Rot. Bonds2

About 16-(7-phenylindolo[2,3-b]carbazol-5-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,8,10,13(18),14,16,19(23),20-decaene

16-(7-phenylindolo[2,3-b]carbazol-5-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,8,10,13(18),14,16,19(23),20-decaene (PubChem CID 163412050) has the molecular formula C44H27N5 and a molecular weight of 625.74 g/mol. Its IUPAC name is 16-(7-phenylindolo[2,3-b]carbazol-5-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,8,10,13(18),14,16,19(23),20-decaene.

Molecular Properties

Compound Name16-(7-phenylindolo[2,3-b]carbazol-5-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,8,10,13(18),14,16,19(23),20-decaene
PubChem CID163412050
Molecular FormulaC44H27N5
Molecular Weight625.74 g/mol
Exact Mass625.23
IUPAC Name16-(7-phenylindolo[2,3-b]carbazol-5-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,8,10,13(18),14,16,19(23),20-decaene
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc6c(c5)c5cccc7c5n6C5=Nc6ccccc6NC57)c4cc32)cc1
InChIInChI=1S/C44H27N5/c1-2-11-26(12-3-1)47-37-19-8-4-13-28(37)33-24-34-29-14-5-9-20-38(29)48(41(34)25-40(33)47)27-21-22-39-32(23-27)30-15-10-16-31-42-44(49(39)43(30)31)46-36-18-7-6-17-35(36)45-42/h1-25,42,45H
InChIKeyABIHOTLZTNXKGM-UHFFFAOYSA-N
XLogP11.05
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.74
LogP ≤ 511.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 16-(7-phenylindolo[2,3-b]carbazol-5-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,8,10,13(18),14,16,19(23),20-decaene with MolForge

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Related Compounds

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CID 145027919
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684
25-phenyl-1,3,10,25-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.024,32.026,31]tetratriaconta-2,4,6,8,12,14,16,18,20(34),21(33),22,24(32),26,28,30-pentadecaene
CID 144995538
26-(9-phenylcarbazol-2-yl)-1,3,10,26-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-4,6,8,12,14,16(30),17(29),18,20,22,24,27-dodecaene
CID 145027911
3-[9-(3-chloro-3,4-dihydroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 145055841
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
2-carbazol-9-yl-5-phenyl-7-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 134194417
3-carbazol-9-yl-9-(3-carbazol-9-ylphenyl)carbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(4-phenylphenyl)carbazole;5,7-diphenylindolo[2,3-b]carbazole
CID 159682410
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440
5-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole;7-phenyl-5-[9-(3-phenylphenyl)carbazol-3-yl]indolo[2,3-b]carbazole
CID 158411261
3-carbazol-9-yl-9-phenylcarbazole;ethane
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CID 134252986

Frequently Asked Questions

What is the IUPAC name of 16-(7-phenylindolo[2,3-b]carbazol-5-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,8,10,13(18),14,16,19(23),20-decaene?
The IUPAC name of 16-(7-phenylindolo[2,3-b]carbazol-5-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,8,10,13(18),14,16,19(23),20-decaene (CID 163412050) is 16-(7-phenylindolo[2,3-b]carbazol-5-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,8,10,13(18),14,16,19(23),20-decaene.
What is the SMILES notation for 16-(7-phenylindolo[2,3-b]carbazol-5-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,8,10,13(18),14,16,19(23),20-decaene?
The canonical SMILES for 16-(7-phenylindolo[2,3-b]carbazol-5-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,8,10,13(18),14,16,19(23),20-decaene is c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc6c(c5)c5cccc7c5n6C5=Nc6ccccc6NC57)c4cc32)cc1.
What is the InChIKey of 16-(7-phenylindolo[2,3-b]carbazol-5-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,8,10,13(18),14,16,19(23),20-decaene?
The InChIKey is ABIHOTLZTNXKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N5/c1-2-11-26(12-3-1)47-37-19-8-4-13-28(37)33-24-34-29-14-5-9-20-38(29)48(41(34)25-40(33)47)27-21-22-39-32(23-27)30-15-10-16-31-42-44(49(39)43(30)31)46-36-18-7-6-17-35(36)45-42/h1-25,42,45H.
What are the key properties of 16-(7-phenylindolo[2,3-b]carbazol-5-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,8,10,13(18),14,16,19(23),20-decaene?
16-(7-phenylindolo[2,3-b]carbazol-5-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,8,10,13(18),14,16,19(23),20-decaene has a molecular weight of 625.74 g/mol, XLogP of 11.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(7-phenylindolo[2,3-b]carbazol-5-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,8,10,13(18),14,16,19(23),20-decaene is sourced from PubChem (CID 163412050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).