5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine

C61H44N2 — CID 166895529

IUPAC5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESC1=C(c2cccc3c2-c2ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc2C3(c2ccccc2)c2ccccc2)CCC(n2c3ccccc3c3ccccc32)=C1
InChIInChI=1S/C61H44N2/c1-5-18-43(19-6-1)44-32-36-49(37-33-44)62(48-24-11-4-12-25-48)51-40-41-55-57(42-51)61(46-20-7-2-8-21-46,47-22-9-3-10-23-47)56-29-17-28-52(60(55)56)45-34-38-50(39-35-45)63-58-30-15-13-26-53(58)54-27-14-16-31-59(54)63/h1-34,36-38,40-42H,35,39H2
InChIKeyKNCMZUDJGRTBOQ-UHFFFAOYSA-N
MW805.04 g/mol
LogP16.01
Rot. Bonds8

About 5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine

5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 166895529) has the molecular formula C61H44N2 and a molecular weight of 805.04 g/mol. Its IUPAC name is 5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID166895529
Molecular FormulaC61H44N2
Molecular Weight805.04 g/mol
Exact Mass804.35
IUPAC Name5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESC1=C(c2cccc3c2-c2ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc2C3(c2ccccc2)c2ccccc2)CCC(n2c3ccccc3c3ccccc32)=C1
InChIInChI=1S/C61H44N2/c1-5-18-43(19-6-1)44-32-36-49(37-33-44)62(48-24-11-4-12-25-48)51-40-41-55-57(42-51)61(46-20-7-2-8-21-46,47-22-9-3-10-23-47)56-29-17-28-52(60(55)56)45-34-38-50(39-35-45)63-58-30-15-13-26-53(58)54-27-14-16-31-59(54)63/h1-34,36-38,40-42H,35,39H2
InChIKeyKNCMZUDJGRTBOQ-UHFFFAOYSA-N
XLogP16.01
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.04
LogP ≤ 516.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-9,9-diphenylfluoren-2-yl]-N-phenyldibenzofuran-4-amine
CID 166895477
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine
CID 158727335
N-phenyl-9-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 130390595
N-(3-carbazol-9-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine
CID 159606680
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-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 167322443
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 118462477
3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118349357
N-[4-[6-[4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 59306647
N,9,9-triphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 118505876
N,9,9-triphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393562
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381439

Frequently Asked Questions

What is the IUPAC name of 5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine (CID 166895529) is 5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine is C1=C(c2cccc3c2-c2ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc2C3(c2ccccc2)c2ccccc2)CCC(n2c3ccccc3c3ccccc32)=C1.
What is the InChIKey of 5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is KNCMZUDJGRTBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H44N2/c1-5-18-43(19-6-1)44-32-36-49(37-33-44)62(48-24-11-4-12-25-48)51-40-41-55-57(42-51)61(46-20-7-2-8-21-46,47-22-9-3-10-23-47)56-29-17-28-52(60(55)56)45-34-38-50(39-35-45)63-58-30-15-13-26-53(58)54-27-14-16-31-59(54)63/h1-34,36-38,40-42H,35,39H2.
What are the key properties of 5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine?
5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 805.04 g/mol, XLogP of 16.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 166895529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).