N-(4-phenylphenyl)-N-[3-[3-(9-phenyl-3,4,7,8-tetrahydrocarbazol-3-yl)phenyl]phenyl]spiro[4a,7,8,9a-tetrahydrofluorene-9,9'-fluorene]-2-amine

C67H52N2 — CID 129301277

IUPACN-(4-phenylphenyl)-N-[3-[3-(9-phenyl-3,4,7,8-tetrahydrocarbazol-3-yl)phenyl]phenyl]spiro[4a,7,8,9a-tetrahydrofluorene-9,9'-fluorene]-2-amine
SMILESC1=CC2=C(CC1)C1(c3ccccc3-c3ccccc31)C1C=C(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc(C5C=Cc6c(c7c(n6-c6ccccc6)CCC=C7)C5)c4)c3)C=CC21
InChIInChI=1S/C67H52N2/c1-3-17-45(18-4-1)46-33-36-52(37-34-46)68(54-38-39-58-57-27-9-13-31-63(57)67(64(58)44-54)61-29-11-7-25-55(61)56-26-8-12-30-62(56)67)53-24-16-21-49(42-53)47-19-15-20-48(41-47)50-35-40-66-60(43-50)59-28-10-14-32-65(59)69(66)51-22-5-2-6-23-51/h1-12,15-30,33-42,44,50,58,64H,13-14,31-32,43H2
InChIKeyFRZOGHQLLXEDQU-UHFFFAOYSA-N
MW885.17 g/mol
LogP16.57
Rot. Bonds7

About N-(4-phenylphenyl)-N-[3-[3-(9-phenyl-3,4,7,8-tetrahydrocarbazol-3-yl)phenyl]phenyl]spiro[4a,7,8,9a-tetrahydrofluorene-9,9'-fluorene]-2-amine

N-(4-phenylphenyl)-N-[3-[3-(9-phenyl-3,4,7,8-tetrahydrocarbazol-3-yl)phenyl]phenyl]spiro[4a,7,8,9a-tetrahydrofluorene-9,9'-fluorene]-2-amine (PubChem CID 129301277) has the molecular formula C67H52N2 and a molecular weight of 885.17 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[3-[3-(9-phenyl-3,4,7,8-tetrahydrocarbazol-3-yl)phenyl]phenyl]spiro[4a,7,8,9a-tetrahydrofluorene-9,9'-fluorene]-2-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[3-[3-(9-phenyl-3,4,7,8-tetrahydrocarbazol-3-yl)phenyl]phenyl]spiro[4a,7,8,9a-tetrahydrofluorene-9,9'-fluorene]-2-amine
PubChem CID129301277
Molecular FormulaC67H52N2
Molecular Weight885.17 g/mol
Exact Mass884.41
IUPAC NameN-(4-phenylphenyl)-N-[3-[3-(9-phenyl-3,4,7,8-tetrahydrocarbazol-3-yl)phenyl]phenyl]spiro[4a,7,8,9a-tetrahydrofluorene-9,9'-fluorene]-2-amine
SMILESC1=CC2=C(CC1)C1(c3ccccc3-c3ccccc31)C1C=C(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc(C5C=Cc6c(c7c(n6-c6ccccc6)CCC=C7)C5)c4)c3)C=CC21
InChIInChI=1S/C67H52N2/c1-3-17-45(18-4-1)46-33-36-52(37-34-46)68(54-38-39-58-57-27-9-13-31-63(57)67(64(58)44-54)61-29-11-7-25-55(61)56-26-8-12-30-62(56)67)53-24-16-21-49(42-53)47-19-15-20-48(41-47)50-35-40-66-60(43-50)59-28-10-14-32-65(59)69(66)51-22-5-2-6-23-51/h1-12,15-30,33-42,44,50,58,64H,13-14,31-32,43H2
InChIKeyFRZOGHQLLXEDQU-UHFFFAOYSA-N
XLogP16.57
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.17
LogP ≤ 516.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-phenylphenyl)-N-[3-[3-(9-phenyl-3,4,7,8-tetrahydrocarbazol-3-yl)phenyl]phenyl]spiro[4a,7,8,9a-tetrahydrofluorene-9,9'-fluorene]-2-amine with MolForge

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Related Compounds

N-(6-phenylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)spiro[4a,7,8,9a-tetrahydrofluorene-9,9'-fluorene]-2-amine
CID 166864273
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 122546847
N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 155484122
8,8-dimethyl-22-phenyl-18-(3-triphenylen-2-ylphenyl)-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),19-nonaene
CID 129208332
9,9-dimethyl-N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]-N-(3-phenylphenyl)-1,9a-dihydrofluoren-2-amine
CID 167280862
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-4-yl]phenyl]-7,8-dihydrocarbazol-3-yl]phenyl]fluoren-2-amine
CID 170420745
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenyl-3,4,5,6-tetrahydrocarbazol-3-yl)phenyl]-1,2-dihydropyridin-6-amine
CID 174366882
N,N-diphenyl-4-[3-[9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]carbazol-9-yl]aniline
CID 166696096
4-dibenzothiophen-4-yl-N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 144995074
N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-ylaniline
CID 134504787
4-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 70917255
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167211221

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[3-[3-(9-phenyl-3,4,7,8-tetrahydrocarbazol-3-yl)phenyl]phenyl]spiro[4a,7,8,9a-tetrahydrofluorene-9,9'-fluorene]-2-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[3-[3-(9-phenyl-3,4,7,8-tetrahydrocarbazol-3-yl)phenyl]phenyl]spiro[4a,7,8,9a-tetrahydrofluorene-9,9'-fluorene]-2-amine (CID 129301277) is N-(4-phenylphenyl)-N-[3-[3-(9-phenyl-3,4,7,8-tetrahydrocarbazol-3-yl)phenyl]phenyl]spiro[4a,7,8,9a-tetrahydrofluorene-9,9'-fluorene]-2-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[3-[3-(9-phenyl-3,4,7,8-tetrahydrocarbazol-3-yl)phenyl]phenyl]spiro[4a,7,8,9a-tetrahydrofluorene-9,9'-fluorene]-2-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[3-[3-(9-phenyl-3,4,7,8-tetrahydrocarbazol-3-yl)phenyl]phenyl]spiro[4a,7,8,9a-tetrahydrofluorene-9,9'-fluorene]-2-amine is C1=CC2=C(CC1)C1(c3ccccc3-c3ccccc31)C1C=C(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc(C5C=Cc6c(c7c(n6-c6ccccc6)CCC=C7)C5)c4)c3)C=CC21.
What is the InChIKey of N-(4-phenylphenyl)-N-[3-[3-(9-phenyl-3,4,7,8-tetrahydrocarbazol-3-yl)phenyl]phenyl]spiro[4a,7,8,9a-tetrahydrofluorene-9,9'-fluorene]-2-amine?
The InChIKey is FRZOGHQLLXEDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H52N2/c1-3-17-45(18-4-1)46-33-36-52(37-34-46)68(54-38-39-58-57-27-9-13-31-63(57)67(64(58)44-54)61-29-11-7-25-55(61)56-26-8-12-30-62(56)67)53-24-16-21-49(42-53)47-19-15-20-48(41-47)50-35-40-66-60(43-50)59-28-10-14-32-65(59)69(66)51-22-5-2-6-23-51/h1-12,15-30,33-42,44,50,58,64H,13-14,31-32,43H2.
What are the key properties of N-(4-phenylphenyl)-N-[3-[3-(9-phenyl-3,4,7,8-tetrahydrocarbazol-3-yl)phenyl]phenyl]spiro[4a,7,8,9a-tetrahydrofluorene-9,9'-fluorene]-2-amine?
N-(4-phenylphenyl)-N-[3-[3-(9-phenyl-3,4,7,8-tetrahydrocarbazol-3-yl)phenyl]phenyl]spiro[4a,7,8,9a-tetrahydrofluorene-9,9'-fluorene]-2-amine has a molecular weight of 885.17 g/mol, XLogP of 16.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[3-[3-(9-phenyl-3,4,7,8-tetrahydrocarbazol-3-yl)phenyl]phenyl]spiro[4a,7,8,9a-tetrahydrofluorene-9,9'-fluorene]-2-amine is sourced from PubChem (CID 129301277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).