12,22-bis(9-phenylcarbazol-3-yl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene;12,22-bis(4-phenylphenyl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene

C100H62N6 — CID 158927393

IUPAC12,22-bis(9-phenylcarbazol-3-yl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene;12,22-bis(4-phenylphenyl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene
SMILESc1ccc(-c2ccc(-n3c4ccc5cccc6c5c4-c4c5c(cccc53)ccc4n6-c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccc6cccc7c6c5-c5c6c(cccc64)ccc5n7-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C56H34N4.C44H28N2/c1-3-15-37(16-4-1)57-45-21-9-7-19-41(45)43-33-39(27-31-47(43)57)59-49-23-11-13-35-26-30-52-56(53(35)49)55-51(59)29-25-36-14-12-24-50(54(36)55)60(52)40-28-32-48-44(34-40)42-20-8-10-22-46(42)58(48)38-17-5-2-6-18-38;1-3-9-29(10-4-1)31-17-23-35(24-18-31)45-37-15-7-13-33-22-28-40-44(41(33)37)43-39(45)27-21-34-14-8-16-38(42(34)43)46(40)36-25-19-32(20-26-36)30-11-5-2-6-12-30/h1-34H;1-28H
InChIKeyJIPQRFXKBLKWCQ-UHFFFAOYSA-N
MW1347.64 g/mol
LogP26.38
Rot. Bonds8

About 12,22-bis(9-phenylcarbazol-3-yl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene;12,22-bis(4-phenylphenyl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene

12,22-bis(9-phenylcarbazol-3-yl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene;12,22-bis(4-phenylphenyl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene (PubChem CID 158927393) has the molecular formula C100H62N6 and a molecular weight of 1347.64 g/mol. Its IUPAC name is 12,22-bis(9-phenylcarbazol-3-yl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene;12,22-bis(4-phenylphenyl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene.

Molecular Properties

Compound Name12,22-bis(9-phenylcarbazol-3-yl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene;12,22-bis(4-phenylphenyl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene
PubChem CID158927393
Molecular FormulaC100H62N6
Molecular Weight1347.64 g/mol
Exact Mass1346.50
IUPAC Name12,22-bis(9-phenylcarbazol-3-yl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene;12,22-bis(4-phenylphenyl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene
SMILESc1ccc(-c2ccc(-n3c4ccc5cccc6c5c4-c4c5c(cccc53)ccc4n6-c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccc6cccc7c6c5-c5c6c(cccc64)ccc5n7-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C56H34N4.C44H28N2/c1-3-15-37(16-4-1)57-45-21-9-7-19-41(45)43-33-39(27-31-47(43)57)59-49-23-11-13-35-26-30-52-56(53(35)49)55-51(59)29-25-36-14-12-24-50(54(36)55)60(52)40-28-32-48-44(34-40)42-20-8-10-22-46(42)58(48)38-17-5-2-6-18-38;1-3-9-29(10-4-1)31-17-23-35(24-18-31)45-37-15-7-13-33-22-28-40-44(41(33)37)43-39(45)27-21-34-14-8-16-38(42(34)43)46(40)36-25-19-32(20-26-36)30-11-5-2-6-12-30/h1-34H;1-28H
InChIKeyJIPQRFXKBLKWCQ-UHFFFAOYSA-N
XLogP26.38
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001347.64
LogP ≤ 526.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 12,22-bis(9-phenylcarbazol-3-yl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene;12,22-bis(4-phenylphenyl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene with MolForge

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Related Compounds

3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
9-(4-phenylphenyl)-14-[3-[4-[3-[4-[3-[14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 139480563
25-(3-carbazol-9-ylphenyl)-10-(4-phenylphenyl)-10,25-diazaheptacyclo[15.11.0.02,14.03,11.04,9.018,26.019,24]octacosa-1(17),2(14),3(11),4,6,8,12,15,18(26),19,21,23,27-tridecaene
CID 142289804
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724
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
9-[3-(3-carbazol-9-ylphenyl)phenyl]-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[3-(4-carbazol-9-ylphenyl)phenyl]-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-(3-carbazol-9-ylphenyl)phenyl]-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158065664
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002
3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159533505
3-[4-[9-(4-carbazol-9-ylphenyl)carbazol-4-yl]carbazol-9-yl]-9-phenylcarbazole;3,9-diphenyl-6-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazole
CID 159143760

Frequently Asked Questions

What is the IUPAC name of 12,22-bis(9-phenylcarbazol-3-yl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene;12,22-bis(4-phenylphenyl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene?
The IUPAC name of 12,22-bis(9-phenylcarbazol-3-yl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene;12,22-bis(4-phenylphenyl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene (CID 158927393) is 12,22-bis(9-phenylcarbazol-3-yl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene;12,22-bis(4-phenylphenyl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene.
What is the SMILES notation for 12,22-bis(9-phenylcarbazol-3-yl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene;12,22-bis(4-phenylphenyl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene?
The canonical SMILES for 12,22-bis(9-phenylcarbazol-3-yl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene;12,22-bis(4-phenylphenyl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene is c1ccc(-c2ccc(-n3c4ccc5cccc6c5c4-c4c5c(cccc53)ccc4n6-c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccc6cccc7c6c5-c5c6c(cccc64)ccc5n7-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 12,22-bis(9-phenylcarbazol-3-yl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene;12,22-bis(4-phenylphenyl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene?
The InChIKey is JIPQRFXKBLKWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4.C44H28N2/c1-3-15-37(16-4-1)57-45-21-9-7-19-41(45)43-33-39(27-31-47(43)57)59-49-23-11-13-35-26-30-52-56(53(35)49)55-51(59)29-25-36-14-12-24-50(54(36)55)60(52)40-28-32-48-44(34-40)42-20-8-10-22-46(42)58(48)38-17-5-2-6-18-38;1-3-9-29(10-4-1)31-17-23-35(24-18-31)45-37-15-7-13-33-22-28-40-44(41(33)37)43-39(45)27-21-34-14-8-16-38(42(34)43)46(40)36-25-19-32(20-26-36)30-11-5-2-6-12-30/h1-34H;1-28H.
What are the key properties of 12,22-bis(9-phenylcarbazol-3-yl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene;12,22-bis(4-phenylphenyl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene?
12,22-bis(9-phenylcarbazol-3-yl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene;12,22-bis(4-phenylphenyl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene has a molecular weight of 1347.64 g/mol, XLogP of 26.38, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12,22-bis(9-phenylcarbazol-3-yl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene;12,22-bis(4-phenylphenyl)-12,22-diazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene is sourced from PubChem (CID 158927393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).