N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine

C62H46N2 — CID 170099431

IUPACN-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
SMILESCC1C=C(c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)C=CC1
InChIInChI=1S/C62H46N2/c1-43-16-15-17-46(40-43)44-28-33-51(34-29-44)63(52-35-30-45(31-36-52)47-32-39-61-57(41-47)56-25-12-14-27-60(56)64(61)50-22-9-4-10-23-50)53-37-38-55-54-24-11-13-26-58(54)62(59(55)42-53,48-18-5-2-6-19-48)49-20-7-3-8-21-49/h2-15,17-43H,16H2,1H3
InChIKeyLFMZPEZGGZBJPN-UHFFFAOYSA-N
MW819.06 g/mol
LogP16.26
Rot. Bonds8

About N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine

N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine (PubChem CID 170099431) has the molecular formula C62H46N2 and a molecular weight of 819.06 g/mol. Its IUPAC name is N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
PubChem CID170099431
Molecular FormulaC62H46N2
Molecular Weight819.06 g/mol
Exact Mass818.37
IUPAC NameN-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
SMILESCC1C=C(c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)C=CC1
InChIInChI=1S/C62H46N2/c1-43-16-15-17-46(40-43)44-28-33-51(34-29-44)63(52-35-30-45(31-36-52)47-32-39-61-57(41-47)56-25-12-14-27-60(56)64(61)50-22-9-4-10-23-50)53-37-38-55-54-24-11-13-26-58(54)62(59(55)42-53,48-18-5-2-6-19-48)49-20-7-3-8-21-49/h2-15,17-43H,16H2,1H3
InChIKeyLFMZPEZGGZBJPN-UHFFFAOYSA-N
XLogP16.26
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.06
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenylfluoren-2-amine
CID 145077283
N-(3-methylcyclohexa-1,5-dien-1-yl)-9,9-diphenyl-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 145232530
N-[4-[9-(3-methylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 135159348
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166958703
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(3-phenylcarbazol-9-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162125259
N-cyclohexa-1,5-dien-1-yl-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 170320114
9,9-diphenyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 89426449
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 118462477
N,9,9-triphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393562
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 160652754
N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 122593307
9,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90124595

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine?
The IUPAC name of N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine (CID 170099431) is N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine?
The canonical SMILES for N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine is CC1C=C(c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)C=CC1.
What is the InChIKey of N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine?
The InChIKey is LFMZPEZGGZBJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46N2/c1-43-16-15-17-46(40-43)44-28-33-51(34-29-44)63(52-35-30-45(31-36-52)47-32-39-61-57(41-47)56-25-12-14-27-60(56)64(61)50-22-9-4-10-23-50)53-37-38-55-54-24-11-13-26-58(54)62(59(55)42-53,48-18-5-2-6-19-48)49-20-7-3-8-21-49/h2-15,17-43H,16H2,1H3.
What are the key properties of N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine?
N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine has a molecular weight of 819.06 g/mol, XLogP of 16.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 170099431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).