9,9-dimethyl-N-[6-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)naphthalen-2-yl]-N-(4-phenylphenyl)fluoren-2-amine

C63H44N2 — CID 177100989

IUPAC9,9-dimethyl-N-[6-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)naphthalen-2-yl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4cc(-n5c6ccccc6c6c7c(-c8cccc9ccccc89)cccc7ccc65)ccc4c3)cc21
InChIInChI=1S/C63H44N2/c1-63(2)57-24-10-8-20-53(57)54-36-35-50(40-58(54)63)64(47-31-26-42(27-32-47)41-14-4-3-5-15-41)48-33-28-46-39-49(34-29-45(46)38-48)65-59-25-11-9-21-56(59)62-60(65)37-30-44-18-13-23-55(61(44)62)52-22-12-17-43-16-6-7-19-51(43)52/h3-40H,1-2H3
InChIKeyCVJLDEKISPSCFA-UHFFFAOYSA-N
MW829.06 g/mol
LogP17.35
Rot. Bonds6

About 9,9-dimethyl-N-[6-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)naphthalen-2-yl]-N-(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-[6-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)naphthalen-2-yl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 177100989) has the molecular formula C63H44N2 and a molecular weight of 829.06 g/mol. Its IUPAC name is 9,9-dimethyl-N-[6-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)naphthalen-2-yl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[6-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)naphthalen-2-yl]-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID177100989
Molecular FormulaC63H44N2
Molecular Weight829.06 g/mol
Exact Mass828.35
IUPAC Name9,9-dimethyl-N-[6-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)naphthalen-2-yl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4cc(-n5c6ccccc6c6c7c(-c8cccc9ccccc89)cccc7ccc65)ccc4c3)cc21
InChIInChI=1S/C63H44N2/c1-63(2)57-24-10-8-20-53(57)54-36-35-50(40-58(54)63)64(47-31-26-42(27-32-47)41-14-4-3-5-15-41)48-33-28-46-39-49(34-29-45(46)38-48)65-59-25-11-9-21-56(59)62-60(65)37-30-44-18-13-23-55(61(44)62)52-22-12-17-43-16-6-7-19-51(43)52/h3-40H,1-2H3
InChIKeyCVJLDEKISPSCFA-UHFFFAOYSA-N
XLogP17.35
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.06
LogP ≤ 517.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-[4-(1-phenylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 177101254
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-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 161470218
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
7-carbazol-9-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline
CID 157400056
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-naphthalen-2-ylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 59171726
3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 157199597
9,9-dimethyl-N-(3-naphthalen-1-yl-4-phenylphenyl)-N-phenyl-7-(3-phenylcarbazol-9-yl)fluoren-2-amine
CID 90085898
N-[4-[3-(9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-9-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 164845717
9,9-dimethyl-N-[4-(11-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 177100908
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]-N,N-bis(4-phenylphenyl)aniline
CID 166660351
9,9-dimethyl-N-naphthalen-2-yl-N-[4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]fluoren-2-amine
CID 118034735
N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 168771532

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[6-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)naphthalen-2-yl]-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[6-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)naphthalen-2-yl]-N-(4-phenylphenyl)fluoren-2-amine (CID 177100989) is 9,9-dimethyl-N-[6-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)naphthalen-2-yl]-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[6-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)naphthalen-2-yl]-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[6-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)naphthalen-2-yl]-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4cc(-n5c6ccccc6c6c7c(-c8cccc9ccccc89)cccc7ccc65)ccc4c3)cc21.
What is the InChIKey of 9,9-dimethyl-N-[6-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)naphthalen-2-yl]-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is CVJLDEKISPSCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N2/c1-63(2)57-24-10-8-20-53(57)54-36-35-50(40-58(54)63)64(47-31-26-42(27-32-47)41-14-4-3-5-15-41)48-33-28-46-39-49(34-29-45(46)38-48)65-59-25-11-9-21-56(59)62-60(65)37-30-44-18-13-23-55(61(44)62)52-22-12-17-43-16-6-7-19-51(43)52/h3-40H,1-2H3.
What are the key properties of 9,9-dimethyl-N-[6-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)naphthalen-2-yl]-N-(4-phenylphenyl)fluoren-2-amine?
9,9-dimethyl-N-[6-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)naphthalen-2-yl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 829.06 g/mol, XLogP of 17.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[6-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)naphthalen-2-yl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 177100989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).