8,14,22-triphenyl-5-(9-phenylcarbazol-2-yl)-1-sulfanylidene-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene

C54H35N4PS — CID 134317224

IUPAC8,14,22-triphenyl-5-(9-phenylcarbazol-2-yl)-1-sulfanylidene-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
SMILESS=P12c3c4cccc3N(c3ccccc3)c3cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc(c31)N(c1ccccc1)c1cccc(c12)N4c1ccccc1
InChIInChI=1S/C54H35N4PS/c60-59-52-45-27-15-29-47(52)57(40-21-9-3-10-22-40)50-34-37(36-31-32-43-42-25-13-14-26-44(42)55(49(43)33-36)38-17-5-1-6-18-38)35-51(54(50)59)58(41-23-11-4-12-24-41)48-30-16-28-46(53(48)59)56(45)39-19-7-2-8-20-39/h1-35H
InChIKeyWHPNNIFVTMQXAE-UHFFFAOYSA-N
MW802.94 g/mol
LogP13.56
Rot. Bonds5

About 8,14,22-triphenyl-5-(9-phenylcarbazol-2-yl)-1-sulfanylidene-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene

8,14,22-triphenyl-5-(9-phenylcarbazol-2-yl)-1-sulfanylidene-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene (PubChem CID 134317224) has the molecular formula C54H35N4PS and a molecular weight of 802.94 g/mol. Its IUPAC name is 8,14,22-triphenyl-5-(9-phenylcarbazol-2-yl)-1-sulfanylidene-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

Compound Name8,14,22-triphenyl-5-(9-phenylcarbazol-2-yl)-1-sulfanylidene-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
PubChem CID134317224
Molecular FormulaC54H35N4PS
Molecular Weight802.94 g/mol
Exact Mass802.23
IUPAC Name8,14,22-triphenyl-5-(9-phenylcarbazol-2-yl)-1-sulfanylidene-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
SMILESS=P12c3c4cccc3N(c3ccccc3)c3cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc(c31)N(c1ccccc1)c1cccc(c12)N4c1ccccc1
InChIInChI=1S/C54H35N4PS/c60-59-52-45-27-15-29-47(52)57(40-21-9-3-10-22-40)50-34-37(36-31-32-43-42-25-13-14-26-44(42)55(49(43)33-36)38-17-5-1-6-18-38)35-51(54(50)59)58(41-23-11-4-12-24-41)48-30-16-28-46(53(48)59)56(45)39-19-7-2-8-20-39/h1-35H
InChIKeyWHPNNIFVTMQXAE-UHFFFAOYSA-N
XLogP13.56
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.94
LogP ≤ 513.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8,14,22-triphenyl-5-(9-phenylcarbazol-2-yl)-1-sulfanylidene-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 59858750
2,15,21-triphenyl-18-(9-phenylcarbazol-2-yl)-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaene
CID 139379924
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-(3-phenylphenyl)carbazole;2-[9-(3-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 165058453
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 155241336
2-phenyl-9-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]carbazole
CID 166037119
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 138747135
9-[4-(3,5-diphenylphenyl)phenyl]-2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 135166087
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazole
CID 165386024
3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole
CID 134194444
3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 168727773

Frequently Asked Questions

What is the IUPAC name of 8,14,22-triphenyl-5-(9-phenylcarbazol-2-yl)-1-sulfanylidene-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?
The IUPAC name of 8,14,22-triphenyl-5-(9-phenylcarbazol-2-yl)-1-sulfanylidene-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene (CID 134317224) is 8,14,22-triphenyl-5-(9-phenylcarbazol-2-yl)-1-sulfanylidene-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene.
What is the SMILES notation for 8,14,22-triphenyl-5-(9-phenylcarbazol-2-yl)-1-sulfanylidene-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?
The canonical SMILES for 8,14,22-triphenyl-5-(9-phenylcarbazol-2-yl)-1-sulfanylidene-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene is S=P12c3c4cccc3N(c3ccccc3)c3cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc(c31)N(c1ccccc1)c1cccc(c12)N4c1ccccc1.
What is the InChIKey of 8,14,22-triphenyl-5-(9-phenylcarbazol-2-yl)-1-sulfanylidene-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?
The InChIKey is WHPNNIFVTMQXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N4PS/c60-59-52-45-27-15-29-47(52)57(40-21-9-3-10-22-40)50-34-37(36-31-32-43-42-25-13-14-26-44(42)55(49(43)33-36)38-17-5-1-6-18-38)35-51(54(50)59)58(41-23-11-4-12-24-41)48-30-16-28-46(53(48)59)56(45)39-19-7-2-8-20-39/h1-35H.
What are the key properties of 8,14,22-triphenyl-5-(9-phenylcarbazol-2-yl)-1-sulfanylidene-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?
8,14,22-triphenyl-5-(9-phenylcarbazol-2-yl)-1-sulfanylidene-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 802.94 g/mol, XLogP of 13.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,14,22-triphenyl-5-(9-phenylcarbazol-2-yl)-1-sulfanylidene-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 134317224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).