9-(9-diphenylphosphoryl-6,6,14,14-tetramethyl-3-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)carbazole

C42H34NOP — CID 163934503

IUPAC9-(9-diphenylphosphoryl-6,6,14,14-tetramethyl-3-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)carbazole
SMILESCC1(C)c2cc(-n3c4ccccc4c4ccccc43)cc3c2-c2c1cc(P(=O)(c1ccccc1)c1ccccc1)cc2C3(C)C
InChIInChI=1S/C42H34NOP/c1-41(2)33-23-27(43-37-21-13-11-19-31(37)32-20-12-14-22-38(32)43)24-34-39(33)40-35(41)25-30(26-36(40)42(34,3)4)45(44,28-15-7-5-8-16-28)29-17-9-6-10-18-29/h5-26H,1-4H3
InChIKeyRLNXXTWEZMYPPL-UHFFFAOYSA-N
MW599.71 g/mol
LogP9.37
Rot. Bonds4

About 9-(9-diphenylphosphoryl-6,6,14,14-tetramethyl-3-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)carbazole

9-(9-diphenylphosphoryl-6,6,14,14-tetramethyl-3-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)carbazole (PubChem CID 163934503) has the molecular formula C42H34NOP and a molecular weight of 599.71 g/mol. Its IUPAC name is 9-(9-diphenylphosphoryl-6,6,14,14-tetramethyl-3-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)carbazole.

Molecular Properties

Compound Name9-(9-diphenylphosphoryl-6,6,14,14-tetramethyl-3-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)carbazole
PubChem CID163934503
Molecular FormulaC42H34NOP
Molecular Weight599.71 g/mol
Exact Mass599.24
IUPAC Name9-(9-diphenylphosphoryl-6,6,14,14-tetramethyl-3-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)carbazole
SMILESCC1(C)c2cc(-n3c4ccccc4c4ccccc43)cc3c2-c2c1cc(P(=O)(c1ccccc1)c1ccccc1)cc2C3(C)C
InChIInChI=1S/C42H34NOP/c1-41(2)33-23-27(43-37-21-13-11-19-31(37)32-20-12-14-22-38(32)43)24-34-39(33)40-35(41)25-30(26-36(40)42(34,3)4)45(44,28-15-7-5-8-16-28)29-17-9-6-10-18-29/h5-26H,1-4H3
InChIKeyRLNXXTWEZMYPPL-UHFFFAOYSA-N
XLogP9.37
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.71
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-(9-diphenylphosphoryl-6,6,14,14-tetramethyl-3-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)carbazole with MolForge

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Related Compounds

2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine
CID 140928513
20-diphenylphosphoryl-18,23,23-trimethylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 138742039
3-[(6-tert-butylnaphthalen-2-yl)-phenylphosphoryl]-9-phenylcarbazole
CID 87159769
10-diphenylphosphoryl-9,9-dimethyl-2-(3-phenylcarbazol-9-yl)acridine
CID 140928529
9-[4-[(4-carbazol-9-ylphenyl)-phenylphosphoryl]phenyl]carbazole;9-(8-diphenylphosphoryldibenzofuran-2-yl)carbazole;3-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole
CID 159051293
2'-(4-diphenylphosphorylphenyl)-10',10'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-anthracene]
CID 135140448
5-bis(4-phenylphenyl)phosphoryl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 138742058
3-[phenanthren-9-yl(phenyl)phosphoryl]-9-phenylcarbazole
CID 87159646
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318
3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole
CID 157211543
20-diphenylphosphoryl-23,23-dimethylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 138741697
9-[3-carbazol-9-yl-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]carbazole
CID 121287743

Frequently Asked Questions

What is the IUPAC name of 9-(9-diphenylphosphoryl-6,6,14,14-tetramethyl-3-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)carbazole?
The IUPAC name of 9-(9-diphenylphosphoryl-6,6,14,14-tetramethyl-3-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)carbazole (CID 163934503) is 9-(9-diphenylphosphoryl-6,6,14,14-tetramethyl-3-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)carbazole.
What is the SMILES notation for 9-(9-diphenylphosphoryl-6,6,14,14-tetramethyl-3-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)carbazole?
The canonical SMILES for 9-(9-diphenylphosphoryl-6,6,14,14-tetramethyl-3-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)carbazole is CC1(C)c2cc(-n3c4ccccc4c4ccccc43)cc3c2-c2c1cc(P(=O)(c1ccccc1)c1ccccc1)cc2C3(C)C.
What is the InChIKey of 9-(9-diphenylphosphoryl-6,6,14,14-tetramethyl-3-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)carbazole?
The InChIKey is RLNXXTWEZMYPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34NOP/c1-41(2)33-23-27(43-37-21-13-11-19-31(37)32-20-12-14-22-38(32)43)24-34-39(33)40-35(41)25-30(26-36(40)42(34,3)4)45(44,28-15-7-5-8-16-28)29-17-9-6-10-18-29/h5-26H,1-4H3.
What are the key properties of 9-(9-diphenylphosphoryl-6,6,14,14-tetramethyl-3-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)carbazole?
9-(9-diphenylphosphoryl-6,6,14,14-tetramethyl-3-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)carbazole has a molecular weight of 599.71 g/mol, XLogP of 9.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-diphenylphosphoryl-6,6,14,14-tetramethyl-3-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)carbazole is sourced from PubChem (CID 163934503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).