15-[8-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-yl)-4-(9,9-dimethylfluoren-3-yl)anilino]phenyl]-9-phenylcarbazol-4-yl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-amine

C123H85N5 — CID 147660813

IUPAC15-[8-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-yl)-4-(9,9-dimethylfluoren-3-yl)anilino]phenyl]-9-phenylcarbazol-4-yl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc(-c5cccc6c7c(-c8ccc9c(c8)c8cccc%10c%11c(N(c%12ccc(-c%13ccc%14c(c%13)-c%13ccccc%13C%14(C)C)cc%12)c%12ccc(-c%13cccc%14c%13C(C)(C)c%13ccccc%13-%14)cc%12)cccc%11n9c8%10)cccc7n(-c7ccccc7)c56)cc4)c4cccc5c4c4cccc6c7ccccc7n5c64)cc3)ccc21
InChIInChI=1S/C123H85N5/c1-121(2)102-40-14-11-28-90(102)99-71-78(57-68-105(99)121)74-49-60-82(61-50-74)124(84-64-53-76(54-65-84)87-32-18-34-93-89-27-10-16-42-104(89)123(5,6)117(87)93)111-46-24-48-113-116(111)98-39-21-36-95-101-73-80(59-70-108(101)128(113)120(95)98)86-31-22-44-109-114(86)96-37-19-33-88(118(96)126(109)81-25-8-7-9-26-81)77-55-66-85(67-56-77)125(110-45-23-47-112-115(110)97-38-20-35-94-92-30-13-17-43-107(92)127(112)119(94)97)83-62-51-75(52-63-83)79-58-69-106-100(72-79)91-29-12-15-41-103(91)122(106,3)4/h7-73H,1-6H3
InChIKeyGLIAJUBYLAUOJV-UHFFFAOYSA-N
MW1633.07 g/mol
LogP33.28
Rot. Bonds12

About 15-[8-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-yl)-4-(9,9-dimethylfluoren-3-yl)anilino]phenyl]-9-phenylcarbazol-4-yl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-amine

15-[8-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-yl)-4-(9,9-dimethylfluoren-3-yl)anilino]phenyl]-9-phenylcarbazol-4-yl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-amine (PubChem CID 147660813) has the molecular formula C123H85N5 and a molecular weight of 1633.07 g/mol. Its IUPAC name is 15-[8-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-yl)-4-(9,9-dimethylfluoren-3-yl)anilino]phenyl]-9-phenylcarbazol-4-yl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-amine.

Molecular Properties

Compound Name15-[8-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-yl)-4-(9,9-dimethylfluoren-3-yl)anilino]phenyl]-9-phenylcarbazol-4-yl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-amine
PubChem CID147660813
Molecular FormulaC123H85N5
Molecular Weight1633.07 g/mol
Exact Mass1631.68
IUPAC Name15-[8-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-yl)-4-(9,9-dimethylfluoren-3-yl)anilino]phenyl]-9-phenylcarbazol-4-yl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc(-c5cccc6c7c(-c8ccc9c(c8)c8cccc%10c%11c(N(c%12ccc(-c%13ccc%14c(c%13)-c%13ccccc%13C%14(C)C)cc%12)c%12ccc(-c%13cccc%14c%13C(C)(C)c%13ccccc%13-%14)cc%12)cccc%11n9c8%10)cccc7n(-c7ccccc7)c56)cc4)c4cccc5c4c4cccc6c7ccccc7n5c64)cc3)ccc21
InChIInChI=1S/C123H85N5/c1-121(2)102-40-14-11-28-90(102)99-71-78(57-68-105(99)121)74-49-60-82(61-50-74)124(84-64-53-76(54-65-84)87-32-18-34-93-89-27-10-16-42-104(89)123(5,6)117(87)93)111-46-24-48-113-116(111)98-39-21-36-95-101-73-80(59-70-108(101)128(113)120(95)98)86-31-22-44-109-114(86)96-37-19-33-88(118(96)126(109)81-25-8-7-9-26-81)77-55-66-85(67-56-77)125(110-45-23-47-112-115(110)97-38-20-35-94-92-30-13-17-43-107(92)127(112)119(94)97)83-62-51-75(52-63-83)79-58-69-106-100(72-79)91-29-12-15-41-103(91)122(106,3)4/h7-73H,1-6H3
InChIKeyGLIAJUBYLAUOJV-UHFFFAOYSA-N
XLogP33.28
TPSA20.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001633.07
LogP ≤ 533.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 15-[8-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-yl)-4-(9,9-dimethylfluoren-3-yl)anilino]phenyl]-9-phenylcarbazol-4-yl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-amine with MolForge

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Related Compounds

5-(1-Azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 59221883
5-(1-Azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 117996977
9-[2',7,7'-Tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
CID 22638507
3-[9-[3-Carbazol-9-yl-5-[3-[9-[3,5-di(carbazol-9-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazol-3-yl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 58960675
10-(1-Azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 59221888
2',7'-Di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2,7-dicarbonitrile
CID 90167101
9,24-Diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3,5,7,10,12,14,16(32),17(31),18,20,22,25,27,29-pentadecaene
CID 102040578
9-[4-[3,5-Di(carbazol-9-yl)phenyl]-2,5-dimethylphenyl]-3-(trifluoromethyl)carbazole
CID 58960686
N-(4-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine
CID 59171719
N,N-bis(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine
CID 59171740
N-(9,9-dimethylfluoren-2-yl)-N-[7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine
CID 59171770
9-[4-[2,3,4,5-Tetrakis(4-carbazol-9-ylphenyl)-6-fluorophenyl]phenyl]carbazole
CID 59733851

Frequently Asked Questions

What is the IUPAC name of 15-[8-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-yl)-4-(9,9-dimethylfluoren-3-yl)anilino]phenyl]-9-phenylcarbazol-4-yl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-amine?
The IUPAC name of 15-[8-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-yl)-4-(9,9-dimethylfluoren-3-yl)anilino]phenyl]-9-phenylcarbazol-4-yl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-amine (CID 147660813) is 15-[8-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-yl)-4-(9,9-dimethylfluoren-3-yl)anilino]phenyl]-9-phenylcarbazol-4-yl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-amine.
What is the SMILES notation for 15-[8-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-yl)-4-(9,9-dimethylfluoren-3-yl)anilino]phenyl]-9-phenylcarbazol-4-yl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-amine?
The canonical SMILES for 15-[8-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-yl)-4-(9,9-dimethylfluoren-3-yl)anilino]phenyl]-9-phenylcarbazol-4-yl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-amine is CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc(-c5cccc6c7c(-c8ccc9c(c8)c8cccc%10c%11c(N(c%12ccc(-c%13ccc%14c(c%13)-c%13ccccc%13C%14(C)C)cc%12)c%12ccc(-c%13cccc%14c%13C(C)(C)c%13ccccc%13-%14)cc%12)cccc%11n9c8%10)cccc7n(-c7ccccc7)c56)cc4)c4cccc5c4c4cccc6c7ccccc7n5c64)cc3)ccc21.
What is the InChIKey of 15-[8-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-yl)-4-(9,9-dimethylfluoren-3-yl)anilino]phenyl]-9-phenylcarbazol-4-yl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-amine?
The InChIKey is GLIAJUBYLAUOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C123H85N5/c1-121(2)102-40-14-11-28-90(102)99-71-78(57-68-105(99)121)74-49-60-82(61-50-74)124(84-64-53-76(54-65-84)87-32-18-34-93-89-27-10-16-42-104(89)123(5,6)117(87)93)111-46-24-48-113-116(111)98-39-21-36-95-101-73-80(59-70-108(101)128(113)120(95)98)86-31-22-44-109-114(86)96-37-19-33-88(118(96)126(109)81-25-8-7-9-26-81)77-55-66-85(67-56-77)125(110-45-23-47-112-115(110)97-38-20-35-94-92-30-13-17-43-107(92)127(112)119(94)97)83-62-51-75(52-63-83)79-58-69-106-100(72-79)91-29-12-15-41-103(91)122(106,3)4/h7-73H,1-6H3.
What are the key properties of 15-[8-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-yl)-4-(9,9-dimethylfluoren-3-yl)anilino]phenyl]-9-phenylcarbazol-4-yl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-amine?
15-[8-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-yl)-4-(9,9-dimethylfluoren-3-yl)anilino]phenyl]-9-phenylcarbazol-4-yl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-amine has a molecular weight of 1633.07 g/mol, XLogP of 33.28, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[8-[4-[N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-yl)-4-(9,9-dimethylfluoren-3-yl)anilino]phenyl]-9-phenylcarbazol-4-yl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-amine is sourced from PubChem (CID 147660813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).