N-[4-[17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-3-yl)anilino)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]phenyl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-9,9-dimethylfluoren-2-amine;(Z)-pent-2-ene

C83H79N3 — CID 143983726

IUPACN-[4-[17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-3-yl)anilino)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]phenyl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-9,9-dimethylfluoren-2-amine;(Z)-pent-2-ene
SMILESC/C=C\C(=C/C)N(c1ccc(-c2cc3c4c(c2)c2cc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C6=C(CCC=C6)C7(C)C)cc5)cc5c2n4-c2c(cccc2C5(C)C)C3(C)C)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2.C/C=C\CC
InChIInChI=1S/C78H69N3.C5H10/c1-11-21-52(12-2)79(57-38-40-60-58-24-16-18-26-64(58)76(5,6)69(60)47-57)54-34-30-48(31-35-54)50-42-62-63-43-51(45-71-73(63)81-72(62)70(44-50)77(7,8)67-28-20-29-68(74(67)81)78(71,9)10)49-32-36-55(37-33-49)80(53-22-14-13-15-23-53)56-39-41-66-61(46-56)59-25-17-19-27-65(59)75(66,3)4;1-3-5-4-2/h11-18,20-26,28-47H,19,27H2,1-10H3;3,5H,4H2,1-2H3/b21-11-,52-12+;5-3-
InChIKeyAIVVBFSLADEWBX-GYJUDOETSA-N
MW1118.57 g/mol
LogP23.16
Rot. Bonds10

About N-[4-[17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-3-yl)anilino)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]phenyl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-9,9-dimethylfluoren-2-amine;(Z)-pent-2-ene

N-[4-[17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-3-yl)anilino)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]phenyl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-9,9-dimethylfluoren-2-amine;(Z)-pent-2-ene (PubChem CID 143983726) has the molecular formula C83H79N3 and a molecular weight of 1118.57 g/mol. Its IUPAC name is N-[4-[17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-3-yl)anilino)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]phenyl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-9,9-dimethylfluoren-2-amine;(Z)-pent-2-ene.

Molecular Properties

Compound NameN-[4-[17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-3-yl)anilino)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]phenyl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-9,9-dimethylfluoren-2-amine;(Z)-pent-2-ene
PubChem CID143983726
Molecular FormulaC83H79N3
Molecular Weight1118.57 g/mol
Exact Mass1117.63
IUPAC NameN-[4-[17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-3-yl)anilino)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]phenyl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-9,9-dimethylfluoren-2-amine;(Z)-pent-2-ene
SMILESC/C=C\C(=C/C)N(c1ccc(-c2cc3c4c(c2)c2cc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C6=C(CCC=C6)C7(C)C)cc5)cc5c2n4-c2c(cccc2C5(C)C)C3(C)C)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2.C/C=C\CC
InChIInChI=1S/C78H69N3.C5H10/c1-11-21-52(12-2)79(57-38-40-60-58-24-16-18-26-64(58)76(5,6)69(60)47-57)54-34-30-48(31-35-54)50-42-62-63-43-51(45-71-73(63)81-72(62)70(44-50)77(7,8)67-28-20-29-68(74(67)81)78(71,9)10)49-32-36-55(37-33-49)80(53-22-14-13-15-23-53)56-39-41-66-61(46-56)59-25-17-19-27-65(59)75(66,3)4;1-3-5-4-2/h11-18,20-26,28-47H,19,27H2,1-10H3;3,5H,4H2,1-2H3/b21-11-,52-12+;5-3-
InChIKeyAIVVBFSLADEWBX-GYJUDOETSA-N
XLogP23.16
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001118.57
LogP ≤ 523.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-3-yl)anilino)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]phenyl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-9,9-dimethylfluoren-2-amine;(Z)-pent-2-ene with MolForge

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-17-[(3E,5Z)-hepta-3,5-dien-3-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine
CID 143983497
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-17-[(3E,5Z)-hepta-3,5-dien-3-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine;ethane
CID 143983496
N,N-diphenyl-4-(8,8,14,14-tetramethyl-17-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)aniline
CID 70886158
2-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-N,6-N,6-N-tris(9,9-dimethylfluoren-2-yl)-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 89189585
10-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-5-N,5-N,10-N-tris(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-5,10-diamine
CID 89074369
N,N-diphenyl-4-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)aniline
CID 70893138
9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)phenyl]-7,8-dihydrofluoren-2-amine
CID 153357644
N-[4-(13,13-dimethyl-17-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-10-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121445353
N-[4-(13,13-dimethyl-16-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-10-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121445359
N-[4-[5-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anilino)phenyl]-2,6-bis(4-fluorophenyl)pyrrolo[2,3-f]indol-1-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 88882512
1-N-[4-[4-(11,11-dimethyl-19,26-dithia-15-azaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaen-15-yl)phenyl]phenyl]-4-N-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 145441937
N-cyclohexa-1,5-dien-1-yl-N-[4-[17-[4-(N-(3,5-dimethylphenyl)anilino)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]phenyl]-3,5-dimethylaniline
CID 70885493

Frequently Asked Questions

What is the IUPAC name of N-[4-[17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-3-yl)anilino)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]phenyl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-9,9-dimethylfluoren-2-amine;(Z)-pent-2-ene?
The IUPAC name of N-[4-[17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-3-yl)anilino)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]phenyl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-9,9-dimethylfluoren-2-amine;(Z)-pent-2-ene (CID 143983726) is N-[4-[17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-3-yl)anilino)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]phenyl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-9,9-dimethylfluoren-2-amine;(Z)-pent-2-ene.
What is the SMILES notation for N-[4-[17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-3-yl)anilino)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]phenyl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-9,9-dimethylfluoren-2-amine;(Z)-pent-2-ene?
The canonical SMILES for N-[4-[17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-3-yl)anilino)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]phenyl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-9,9-dimethylfluoren-2-amine;(Z)-pent-2-ene is C/C=C\C(=C/C)N(c1ccc(-c2cc3c4c(c2)c2cc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C6=C(CCC=C6)C7(C)C)cc5)cc5c2n4-c2c(cccc2C5(C)C)C3(C)C)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2.C/C=C\CC.
What is the InChIKey of N-[4-[17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-3-yl)anilino)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]phenyl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-9,9-dimethylfluoren-2-amine;(Z)-pent-2-ene?
The InChIKey is AIVVBFSLADEWBX-GYJUDOETSA-N. The full InChI is InChI=1S/C78H69N3.C5H10/c1-11-21-52(12-2)79(57-38-40-60-58-24-16-18-26-64(58)76(5,6)69(60)47-57)54-34-30-48(31-35-54)50-42-62-63-43-51(45-71-73(63)81-72(62)70(44-50)77(7,8)67-28-20-29-68(74(67)81)78(71,9)10)49-32-36-55(37-33-49)80(53-22-14-13-15-23-53)56-39-41-66-61(46-56)59-25-17-19-27-65(59)75(66,3)4;1-3-5-4-2/h11-18,20-26,28-47H,19,27H2,1-10H3;3,5H,4H2,1-2H3/b21-11-,52-12+;5-3-.
What are the key properties of N-[4-[17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-3-yl)anilino)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]phenyl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-9,9-dimethylfluoren-2-amine;(Z)-pent-2-ene?
N-[4-[17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-3-yl)anilino)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]phenyl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-9,9-dimethylfluoren-2-amine;(Z)-pent-2-ene has a molecular weight of 1118.57 g/mol, XLogP of 23.16, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-3-yl)anilino)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]phenyl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-9,9-dimethylfluoren-2-amine;(Z)-pent-2-ene is sourced from PubChem (CID 143983726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).