N-(9,9-dimethylfluoren-2-yl)-N-[4-(1-naphthalen-1-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-9-phenylcarbazol-3-amine

C73H51N3 — CID 58161690

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[4-(1-naphthalen-1-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-9-phenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4ccc4c(-c6ccccc6)c(-c6ccccc6)n(-c6cccc7ccccc67)c45)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C73H51N3/c1-73(2)65-33-16-14-29-59(65)60-42-40-55(47-66(60)73)74(54-41-45-69-64(46-54)61-30-15-17-34-68(61)75(69)52-26-10-5-11-27-52)53-38-36-49(37-39-53)56-31-19-32-62-58(56)43-44-63-70(50-21-6-3-7-22-50)71(51-23-8-4-9-24-51)76(72(62)63)67-35-18-25-48-20-12-13-28-57(48)67/h3-47H,1-2H3
InChIKeyHUTLQSZYORDKAX-UHFFFAOYSA-N
MW970.23 g/mol
LogP19.81
Rot. Bonds8

About N-(9,9-dimethylfluoren-2-yl)-N-[4-(1-naphthalen-1-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-9-phenylcarbazol-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-[4-(1-naphthalen-1-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-9-phenylcarbazol-3-amine (PubChem CID 58161690) has the molecular formula C73H51N3 and a molecular weight of 970.23 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-(1-naphthalen-1-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[4-(1-naphthalen-1-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-9-phenylcarbazol-3-amine
PubChem CID58161690
Molecular FormulaC73H51N3
Molecular Weight970.23 g/mol
Exact Mass969.41
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[4-(1-naphthalen-1-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-9-phenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4ccc4c(-c6ccccc6)c(-c6ccccc6)n(-c6cccc7ccccc67)c45)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C73H51N3/c1-73(2)65-33-16-14-29-59(65)60-42-40-55(47-66(60)73)74(54-41-45-69-64(46-54)61-30-15-17-34-68(61)75(69)52-26-10-5-11-27-52)53-38-36-49(37-39-53)56-31-19-32-62-58(56)43-44-63-70(50-21-6-3-7-22-50)71(51-23-8-4-9-24-51)76(72(62)63)67-35-18-25-48-20-12-13-28-57(48)67/h3-47H,1-2H3
InChIKeyHUTLQSZYORDKAX-UHFFFAOYSA-N
XLogP19.81
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500970.23
LogP ≤ 519.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(9,9-dimethylfluoren-2-yl)-N-[4-(1-naphthalen-1-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-9-phenylcarbazol-3-amine with MolForge

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Related Compounds

9,9-dimethyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine;9-phenyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]carbazol-3-amine;4-(1,2,3-triphenylbenzo[g]indol-6-yl)-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]aniline
CID 160966968
N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-5-yl]phenyl]-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(1-naphthalen-1-yl-2,3-diphenylbenzo[g]indol-5-yl)phenyl]-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]carbazol-3-amine;N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-5-yl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 161042212
N-(9,9-dimethylfluoren-2-yl)-N-[7-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine
CID 58161684
9,9-dimethyl-N-naphthalen-1-yl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine
CID 58161700
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine
CID 58161674
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-[5-(1,2,3-triphenylbenzo[g]indol-6-yl)furan-2-yl]phenyl]carbazol-3-amine
CID 58161610
N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-6-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58161729
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;N-[4-(11-naphthalen-1-ylbenzo[a]carbazol-8-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 160984128
9,9-dimethyl-N-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 58161662
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]carbazol-3-amine
CID 90148439
4-N-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 58161658
9,9-dimethyl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine;9,9-dimethyl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 157191208

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(1-naphthalen-1-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-9-phenylcarbazol-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(1-naphthalen-1-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-9-phenylcarbazol-3-amine (CID 58161690) is N-(9,9-dimethylfluoren-2-yl)-N-[4-(1-naphthalen-1-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[4-(1-naphthalen-1-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-(1-naphthalen-1-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-9-phenylcarbazol-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4ccc4c(-c6ccccc6)c(-c6ccccc6)n(-c6cccc7ccccc67)c45)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[4-(1-naphthalen-1-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-9-phenylcarbazol-3-amine?
The InChIKey is HUTLQSZYORDKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H51N3/c1-73(2)65-33-16-14-29-59(65)60-42-40-55(47-66(60)73)74(54-41-45-69-64(46-54)61-30-15-17-34-68(61)75(69)52-26-10-5-11-27-52)53-38-36-49(37-39-53)56-31-19-32-62-58(56)43-44-63-70(50-21-6-3-7-22-50)71(51-23-8-4-9-24-51)76(72(62)63)67-35-18-25-48-20-12-13-28-57(48)67/h3-47H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[4-(1-naphthalen-1-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-9-phenylcarbazol-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[4-(1-naphthalen-1-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-9-phenylcarbazol-3-amine has a molecular weight of 970.23 g/mol, XLogP of 19.81, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-[4-(1-naphthalen-1-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-9-phenylcarbazol-3-amine is sourced from PubChem (CID 58161690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).