9-phenyl-N-(9-phenylcarbazol-4-yl)-N-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-1-ylcarbazol-3-amine

C61H41N3 — CID 163784791

IUPAC9-phenyl-N-(9-phenylcarbazol-4-yl)-N-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-1-ylcarbazol-3-amine
SMILESC1=CC2c3ccccc3C3(c4ccccc4-c4ccccc43)C2C(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c2c2ccccc2n3-c2ccccc2)=C1
InChIInChI=1S/C61H41N3/c1-3-19-40(20-4-1)62-53-32-15-10-26-46(53)49-39-42(37-38-55(49)62)64(57-35-18-34-56-59(57)48-27-11-16-33-54(48)63(56)41-21-5-2-6-22-41)58-36-17-28-47-45-25-9-14-31-52(45)61(60(47)58)50-29-12-7-23-43(50)44-24-8-13-30-51(44)61/h1-39,47,60H
InChIKeyMRPFPWBQSJXQJP-UHFFFAOYSA-N
MW816.02 g/mol
LogP15.20
Rot. Bonds5

About 9-phenyl-N-(9-phenylcarbazol-4-yl)-N-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-1-ylcarbazol-3-amine

9-phenyl-N-(9-phenylcarbazol-4-yl)-N-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-1-ylcarbazol-3-amine (PubChem CID 163784791) has the molecular formula C61H41N3 and a molecular weight of 816.02 g/mol. Its IUPAC name is 9-phenyl-N-(9-phenylcarbazol-4-yl)-N-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-1-ylcarbazol-3-amine.

Molecular Properties

Compound Name9-phenyl-N-(9-phenylcarbazol-4-yl)-N-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-1-ylcarbazol-3-amine
PubChem CID163784791
Molecular FormulaC61H41N3
Molecular Weight816.02 g/mol
Exact Mass815.33
IUPAC Name9-phenyl-N-(9-phenylcarbazol-4-yl)-N-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-1-ylcarbazol-3-amine
SMILESC1=CC2c3ccccc3C3(c4ccccc4-c4ccccc43)C2C(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c2c2ccccc2n3-c2ccccc2)=C1
InChIInChI=1S/C61H41N3/c1-3-19-40(20-4-1)62-53-32-15-10-26-46(53)49-39-42(37-38-55(49)62)64(57-35-18-34-56-59(57)48-27-11-16-33-54(48)63(56)41-21-5-2-6-22-41)58-36-17-28-47-45-25-9-14-31-52(45)61(60(47)58)50-29-12-7-23-43(50)44-24-8-13-30-51(44)61/h1-39,47,60H
InChIKeyMRPFPWBQSJXQJP-UHFFFAOYSA-N
XLogP15.20
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.02
LogP ≤ 515.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine
CID 129266485
N-(11,11-dimethylbenzo[b]fluoren-8-yl)-N,9-diphenylcarbazol-4-amine
CID 156554164
9-phenyl-N-[2-[2-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-3-amine
CID 170119848
CID 134451097
CID 134451097
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
CID 170286472
N,5,9-triphenyl-N-(9-phenylcarbazol-3-yl)carbazol-4-amine
CID 169009800
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine
CID 90261832
N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
CID 139567817
N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine
CID 126538335
5,9-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)carbazol-3-amine
CID 169010368
N-naphthalen-1-yl-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine
CID 129264419
9-(9,9-dimethylfluoren-3-yl)-N-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)carbazol-2-amine
CID 170286776

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(9-phenylcarbazol-4-yl)-N-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-1-ylcarbazol-3-amine?
The IUPAC name of 9-phenyl-N-(9-phenylcarbazol-4-yl)-N-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-1-ylcarbazol-3-amine (CID 163784791) is 9-phenyl-N-(9-phenylcarbazol-4-yl)-N-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-1-ylcarbazol-3-amine.
What is the SMILES notation for 9-phenyl-N-(9-phenylcarbazol-4-yl)-N-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-1-ylcarbazol-3-amine?
The canonical SMILES for 9-phenyl-N-(9-phenylcarbazol-4-yl)-N-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-1-ylcarbazol-3-amine is C1=CC2c3ccccc3C3(c4ccccc4-c4ccccc43)C2C(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c2c2ccccc2n3-c2ccccc2)=C1.
What is the InChIKey of 9-phenyl-N-(9-phenylcarbazol-4-yl)-N-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-1-ylcarbazol-3-amine?
The InChIKey is MRPFPWBQSJXQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N3/c1-3-19-40(20-4-1)62-53-32-15-10-26-46(53)49-39-42(37-38-55(49)62)64(57-35-18-34-56-59(57)48-27-11-16-33-54(48)63(56)41-21-5-2-6-22-41)58-36-17-28-47-45-25-9-14-31-52(45)61(60(47)58)50-29-12-7-23-43(50)44-24-8-13-30-51(44)61/h1-39,47,60H.
What are the key properties of 9-phenyl-N-(9-phenylcarbazol-4-yl)-N-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-1-ylcarbazol-3-amine?
9-phenyl-N-(9-phenylcarbazol-4-yl)-N-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-1-ylcarbazol-3-amine has a molecular weight of 816.02 g/mol, XLogP of 15.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-(9-phenylcarbazol-4-yl)-N-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-1-ylcarbazol-3-amine is sourced from PubChem (CID 163784791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).