N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-3'-ethenyl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine

C71H56N2 — CID 145271586

IUPACN-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-3'-ethenyl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine
SMILESC=CC1=C(/C=C\C)C2(c3ccccc31)c1ccccc1-c1c(N(c3ccc(C(/C=C\C)=C/C)cc3)c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)C(C)(C)c4ccccc4-6)cc3)cccc12
InChIInChI=1S/C71H56N2/c1-7-21-46(9-3)47-33-38-51(39-34-47)72(67-32-20-31-64-69(67)56-27-16-19-30-63(56)71(64)61(22-8-2)53(10-4)54-25-15-18-29-62(54)71)52-40-35-48(36-41-52)49-37-42-66-58(43-49)59-44-57-55-26-14-17-28-60(55)70(5,6)65(57)45-68(59)73(66)50-23-12-11-13-24-50/h7-45H,4H2,1-3,5-6H3/b21-7-,22-8-,46-9+
InChIKeyRRAXLXBSBXGQGR-KZUSPZBJSA-N
MW937.24 g/mol
LogP19.05
Rot. Bonds9

About N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-3'-ethenyl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine

N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-3'-ethenyl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine (PubChem CID 145271586) has the molecular formula C71H56N2 and a molecular weight of 937.24 g/mol. Its IUPAC name is N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-3'-ethenyl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine.

Molecular Properties

Compound NameN-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-3'-ethenyl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine
PubChem CID145271586
Molecular FormulaC71H56N2
Molecular Weight937.24 g/mol
Exact Mass936.44
IUPAC NameN-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-3'-ethenyl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine
SMILESC=CC1=C(/C=C\C)C2(c3ccccc31)c1ccccc1-c1c(N(c3ccc(C(/C=C\C)=C/C)cc3)c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)C(C)(C)c4ccccc4-6)cc3)cccc12
InChIInChI=1S/C71H56N2/c1-7-21-46(9-3)47-33-38-51(39-34-47)72(67-32-20-31-64-69(67)56-27-16-19-30-63(56)71(64)61(22-8-2)53(10-4)54-25-15-18-29-62(54)71)52-40-35-48(36-41-52)49-37-42-66-58(43-49)59-44-57-55-26-14-17-28-60(55)70(5,6)65(57)45-68(59)73(66)50-23-12-11-13-24-50/h7-45H,4H2,1-3,5-6H3/b21-7-,22-8-,46-9+
InChIKeyRRAXLXBSBXGQGR-KZUSPZBJSA-N
XLogP19.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500937.24
LogP ≤ 519.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-3'-ethenyl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine with MolForge

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine
CID 126702904
N-(9,9-dimethylfluoren-4-yl)-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-amine
CID 140910652
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine;3-[4-[2-(9,9-dimethylfluoren-3-yl)-1-(4-phenylphenyl)ethenyl]phenyl]-9-phenylcarbazole;N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 163897873
2-[(2E,4Z)-hexa-2,4-dien-3-yl]-7,7-dimethyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 129136328
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(5-phenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene]-2-yl)phenyl]fluoren-4-amine
CID 118614739
N-(9,9-dimethylfluoren-4-yl)-15,15-dimethyl-11-phenyl-N-(4-phenylphenyl)-11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5(10),6,8,12,16,18,20(24),21-undecaen-7-amine
CID 135273915
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129259019
N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
CID 121423814
N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 126548866
N-[4-(5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 145271614
N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121423823
N-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 163813386

Frequently Asked Questions

What is the IUPAC name of N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-3'-ethenyl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine?
The IUPAC name of N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-3'-ethenyl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine (CID 145271586) is N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-3'-ethenyl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine.
What is the SMILES notation for N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-3'-ethenyl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine?
The canonical SMILES for N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-3'-ethenyl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine is C=CC1=C(/C=C\C)C2(c3ccccc31)c1ccccc1-c1c(N(c3ccc(C(/C=C\C)=C/C)cc3)c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)C(C)(C)c4ccccc4-6)cc3)cccc12.
What is the InChIKey of N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-3'-ethenyl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine?
The InChIKey is RRAXLXBSBXGQGR-KZUSPZBJSA-N. The full InChI is InChI=1S/C71H56N2/c1-7-21-46(9-3)47-33-38-51(39-34-47)72(67-32-20-31-64-69(67)56-27-16-19-30-63(56)71(64)61(22-8-2)53(10-4)54-25-15-18-29-62(54)71)52-40-35-48(36-41-52)49-37-42-66-58(43-49)59-44-57-55-26-14-17-28-60(55)70(5,6)65(57)45-68(59)73(66)50-23-12-11-13-24-50/h7-45H,4H2,1-3,5-6H3/b21-7-,22-8-,46-9+.
What are the key properties of N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-3'-ethenyl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine?
N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-3'-ethenyl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine has a molecular weight of 937.24 g/mol, XLogP of 19.05, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-3'-ethenyl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine is sourced from PubChem (CID 145271586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).