N-(9,9-diphenylfluoren-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-triphenylen-2-ylcarbazol-3-amine

C80H52N2 — CID 167334144

IUPACN-(9,9-diphenylfluoren-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-triphenylen-2-ylcarbazol-3-amine
SMILESc1ccc(-n2c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccc5c6ccccc6c6ccccc6c5c4)cc3c3cc(C4(c5ccccc5)c5ccccc5-c5ccccc54)ccc32)cc1
InChIInChI=1S/C80H52N2/c1-5-23-53(24-6-1)79(54-25-7-2-8-26-54)73-38-20-19-37-68(73)69-46-43-60(52-76(69)79)81(58-42-45-65-63-33-14-13-31-61(63)62-32-15-16-34-64(62)70(65)50-58)59-44-48-78-72(51-59)71-49-56(41-47-77(71)82(78)57-29-11-4-12-30-57)80(55-27-9-3-10-28-55)74-39-21-17-35-66(74)67-36-18-22-40-75(67)80/h1-52H
InChIKeyHUHKLWCTYLDRKX-UHFFFAOYSA-N
MW1041.31 g/mol
LogP20.44
Rot. Bonds8

About N-(9,9-diphenylfluoren-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-triphenylen-2-ylcarbazol-3-amine

N-(9,9-diphenylfluoren-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-triphenylen-2-ylcarbazol-3-amine (PubChem CID 167334144) has the molecular formula C80H52N2 and a molecular weight of 1041.31 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-triphenylen-2-ylcarbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-triphenylen-2-ylcarbazol-3-amine
PubChem CID167334144
Molecular FormulaC80H52N2
Molecular Weight1041.31 g/mol
Exact Mass1040.41
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-triphenylen-2-ylcarbazol-3-amine
SMILESc1ccc(-n2c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccc5c6ccccc6c6ccccc6c5c4)cc3c3cc(C4(c5ccccc5)c5ccccc5-c5ccccc54)ccc32)cc1
InChIInChI=1S/C80H52N2/c1-5-23-53(24-6-1)79(54-25-7-2-8-26-54)73-38-20-19-37-68(73)69-46-43-60(52-76(69)79)81(58-42-45-65-63-33-14-13-31-61(63)62-32-15-16-34-64(62)70(65)50-58)59-44-48-78-72(51-59)71-49-56(41-47-77(71)82(78)57-29-11-4-12-30-57)80(55-27-9-3-10-28-55)74-39-21-17-35-66(74)67-36-18-22-40-75(67)80/h1-52H
InChIKeyHUHKLWCTYLDRKX-UHFFFAOYSA-N
XLogP20.44
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001041.31
LogP ≤ 520.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 122593307
N-naphthalen-2-yl-9,9-diphenyl-N-[9-phenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-yl]fluoren-2-amine
CID 134452960
9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 167214675
N-(9,9-dimethylfluoren-2-yl)-N-(9,10-diphenylanthracen-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-amine
CID 167214963
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine
CID 129264404
9-phenyl-7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)carbazol-3-amine
CID 167334078
9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 129264403
9-phenyl-6-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 167214978
N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 89492077
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381439
N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-5-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-3-amine
CID 159860260
N,9-diphenyl-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375341

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-triphenylen-2-ylcarbazol-3-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-triphenylen-2-ylcarbazol-3-amine (CID 167334144) is N-(9,9-diphenylfluoren-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-triphenylen-2-ylcarbazol-3-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-triphenylen-2-ylcarbazol-3-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-triphenylen-2-ylcarbazol-3-amine is c1ccc(-n2c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccc5c6ccccc6c6ccccc6c5c4)cc3c3cc(C4(c5ccccc5)c5ccccc5-c5ccccc54)ccc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-triphenylen-2-ylcarbazol-3-amine?
The InChIKey is HUHKLWCTYLDRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H52N2/c1-5-23-53(24-6-1)79(54-25-7-2-8-26-54)73-38-20-19-37-68(73)69-46-43-60(52-76(69)79)81(58-42-45-65-63-33-14-13-31-61(63)62-32-15-16-34-64(62)70(65)50-58)59-44-48-78-72(51-59)71-49-56(41-47-77(71)82(78)57-29-11-4-12-30-57)80(55-27-9-3-10-28-55)74-39-21-17-35-66(74)67-36-18-22-40-75(67)80/h1-52H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-triphenylen-2-ylcarbazol-3-amine?
N-(9,9-diphenylfluoren-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-triphenylen-2-ylcarbazol-3-amine has a molecular weight of 1041.31 g/mol, XLogP of 20.44, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-triphenylen-2-ylcarbazol-3-amine is sourced from PubChem (CID 167334144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).