N-[3-[7-(9,9-dimethylfluoren-2-yl)benzo[g]carbazol-9-yl]phenyl]-N,9-diphenylcarbazol-2-amine

C61H43N3 — CID 118349550

IUPACN-[3-[7-(9,9-dimethylfluoren-2-yl)benzo[g]carbazol-9-yl]phenyl]-N,9-diphenylcarbazol-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4cc(-c5cccc(N(c6ccccc6)c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5)ccc4c4c5ccccc5ccc43)cc21
InChIInChI=1S/C61H43N3/c1-61(2)54-26-13-11-24-49(54)50-33-30-46(38-55(50)61)64-57-35-29-40-16-9-10-23-48(40)60(57)53-32-28-42(37-58(53)64)41-17-15-22-45(36-41)62(43-18-5-3-6-19-43)47-31-34-52-51-25-12-14-27-56(51)63(59(52)39-47)44-20-7-4-8-21-44/h3-39H,1-2H3
InChIKeyWJBJHWBZEUJCRJ-UHFFFAOYSA-N
MW818.04 g/mol
LogP16.48
Rot. Bonds6

About N-[3-[7-(9,9-dimethylfluoren-2-yl)benzo[g]carbazol-9-yl]phenyl]-N,9-diphenylcarbazol-2-amine

N-[3-[7-(9,9-dimethylfluoren-2-yl)benzo[g]carbazol-9-yl]phenyl]-N,9-diphenylcarbazol-2-amine (PubChem CID 118349550) has the molecular formula C61H43N3 and a molecular weight of 818.04 g/mol. Its IUPAC name is N-[3-[7-(9,9-dimethylfluoren-2-yl)benzo[g]carbazol-9-yl]phenyl]-N,9-diphenylcarbazol-2-amine.

Molecular Properties

Compound NameN-[3-[7-(9,9-dimethylfluoren-2-yl)benzo[g]carbazol-9-yl]phenyl]-N,9-diphenylcarbazol-2-amine
PubChem CID118349550
Molecular FormulaC61H43N3
Molecular Weight818.04 g/mol
Exact Mass817.35
IUPAC NameN-[3-[7-(9,9-dimethylfluoren-2-yl)benzo[g]carbazol-9-yl]phenyl]-N,9-diphenylcarbazol-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4cc(-c5cccc(N(c6ccccc6)c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5)ccc4c4c5ccccc5ccc43)cc21
InChIInChI=1S/C61H43N3/c1-61(2)54-26-13-11-24-49(54)50-33-30-46(38-55(50)61)64-57-35-29-40-16-9-10-23-48(40)60(57)53-32-28-42(37-58(53)64)41-17-15-22-45(36-41)62(43-18-5-3-6-19-43)47-31-34-52-51-25-12-14-27-56(51)63(59(52)39-47)44-20-7-4-8-21-44/h3-39H,1-2H3
InChIKeyWJBJHWBZEUJCRJ-UHFFFAOYSA-N
XLogP16.48
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.04
LogP ≤ 516.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-dimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 156513111
9,9-dimethyl-N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 129085046
N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 168771532
N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,N-bis(4-carbazol-9-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;7-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 162097788
7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 89212902
7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 71038406
4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-4-yl)phenyl]-N,N-diphenylaniline
CID 118289325
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 90393592
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]fluoren-2-amine
CID 144831028
9,9-dimethyl-N-naphthalen-2-yl-N-[4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]fluoren-2-amine
CID 118034735
N,N-bis(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-ylbenzo[c]carbazol-4-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-4-amine;7-phenyl-N,N-bis(4-phenylphenyl)benzo[c]carbazol-4-amine
CID 165076345

Frequently Asked Questions

What is the IUPAC name of N-[3-[7-(9,9-dimethylfluoren-2-yl)benzo[g]carbazol-9-yl]phenyl]-N,9-diphenylcarbazol-2-amine?
The IUPAC name of N-[3-[7-(9,9-dimethylfluoren-2-yl)benzo[g]carbazol-9-yl]phenyl]-N,9-diphenylcarbazol-2-amine (CID 118349550) is N-[3-[7-(9,9-dimethylfluoren-2-yl)benzo[g]carbazol-9-yl]phenyl]-N,9-diphenylcarbazol-2-amine.
What is the SMILES notation for N-[3-[7-(9,9-dimethylfluoren-2-yl)benzo[g]carbazol-9-yl]phenyl]-N,9-diphenylcarbazol-2-amine?
The canonical SMILES for N-[3-[7-(9,9-dimethylfluoren-2-yl)benzo[g]carbazol-9-yl]phenyl]-N,9-diphenylcarbazol-2-amine is CC1(C)c2ccccc2-c2ccc(-n3c4cc(-c5cccc(N(c6ccccc6)c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5)ccc4c4c5ccccc5ccc43)cc21.
What is the InChIKey of N-[3-[7-(9,9-dimethylfluoren-2-yl)benzo[g]carbazol-9-yl]phenyl]-N,9-diphenylcarbazol-2-amine?
The InChIKey is WJBJHWBZEUJCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43N3/c1-61(2)54-26-13-11-24-49(54)50-33-30-46(38-55(50)61)64-57-35-29-40-16-9-10-23-48(40)60(57)53-32-28-42(37-58(53)64)41-17-15-22-45(36-41)62(43-18-5-3-6-19-43)47-31-34-52-51-25-12-14-27-56(51)63(59(52)39-47)44-20-7-4-8-21-44/h3-39H,1-2H3.
What are the key properties of N-[3-[7-(9,9-dimethylfluoren-2-yl)benzo[g]carbazol-9-yl]phenyl]-N,9-diphenylcarbazol-2-amine?
N-[3-[7-(9,9-dimethylfluoren-2-yl)benzo[g]carbazol-9-yl]phenyl]-N,9-diphenylcarbazol-2-amine has a molecular weight of 818.04 g/mol, XLogP of 16.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[7-(9,9-dimethylfluoren-2-yl)benzo[g]carbazol-9-yl]phenyl]-N,9-diphenylcarbazol-2-amine is sourced from PubChem (CID 118349550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).