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

C81H69N3 — CID 89074369

IUPAC10-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
SMILESCC1(C)C2=C(C=CCC2)c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc4c5c(c3)c3cc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc3n5-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C81H69N3/c1-77(2)64-25-15-11-21-54(64)58-36-31-49(43-69(58)77)82(50-32-37-59-55-22-12-16-26-65(55)78(3,4)70(59)44-50)48-35-40-74-62(41-48)63-42-53(47-73-76(63)84(74)75-30-20-19-29-68(75)81(73,9)10)83(51-33-38-60-56-23-13-17-27-66(56)79(5,6)71(60)45-51)52-34-39-61-57-24-14-18-28-67(57)80(7,8)72(61)46-52/h11-17,19-27,29-47H,18,28H2,1-10H3
InChIKeyWZDBXZDTMDZHLE-UHFFFAOYSA-N
MW1084.46 g/mol
LogP21.68
Rot. Bonds6

About 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

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 (PubChem CID 89074369) has the molecular formula C81H69N3 and a molecular weight of 1084.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-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
PubChem CID89074369
Molecular FormulaC81H69N3
Molecular Weight1084.46 g/mol
Exact Mass1083.55
IUPAC Name10-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
SMILESCC1(C)C2=C(C=CCC2)c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc4c5c(c3)c3cc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc3n5-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C81H69N3/c1-77(2)64-25-15-11-21-54(64)58-36-31-49(43-69(58)77)82(50-32-37-59-55-22-12-16-26-65(55)78(3,4)70(59)44-50)48-35-40-74-62(41-48)63-42-53(47-73-76(63)84(74)75-30-20-19-29-68(75)81(73,9)10)83(51-33-38-60-56-23-13-17-27-66(56)79(5,6)71(60)45-51)52-34-39-61-57-24-14-18-28-67(57)80(7,8)72(61)46-52/h11-17,19-27,29-47H,18,28H2,1-10H3
InChIKeyWZDBXZDTMDZHLE-UHFFFAOYSA-N
XLogP21.68
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001084.46
LogP ≤ 521.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

2-N,2-N,7-N-tris(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-7-N-(9,9-dimethylfluoren-2-yl)-9,10-dimethylanthracene-2,7-diamine
CID 89152690
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
N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9-phenylcarbazol-3-amine
CID 88891872
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-13,13-dimethyl-10-naphthalen-1-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70885589
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
N-(4-tert-butylphenyl)-N-(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-nonaen-5-amine
CID 70893084
13,13-dimethyl-N,N-diphenyl-5-[4-(N-phenylanilino)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-amine
CID 70893229
4-[9-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 166723492
8-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-3-N-(9,9-dimethylfluoren-2-yl)-3-N,8-N-diphenyl-5,6-dihydrobenzo[c]phenanthrene-3,8-diamine;ethane
CID 144726282
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
4-N-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 71036435
4-N,4-N-bis(13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 89211308

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)C2=C(C=CCC2)c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc4c5c(c3)c3cc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc3n5-c3ccccc3C4(C)C)cc21.
What is the InChIKey of 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?
The InChIKey is WZDBXZDTMDZHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H69N3/c1-77(2)64-25-15-11-21-54(64)58-36-31-49(43-69(58)77)82(50-32-37-59-55-22-12-16-26-65(55)78(3,4)70(59)44-50)48-35-40-74-62(41-48)63-42-53(47-73-76(63)84(74)75-30-20-19-29-68(75)81(73,9)10)83(51-33-38-60-56-23-13-17-27-66(56)79(5,6)71(60)45-51)52-34-39-61-57-24-14-18-28-67(57)80(7,8)72(61)46-52/h11-17,19-27,29-47H,18,28H2,1-10H3.
What are the key properties of 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?
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 has a molecular weight of 1084.46 g/mol, XLogP of 21.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 89074369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).