7-[3,6-bis(2-methylbutan-2-yl)carbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine

C61H58N2 — CID 144745751

IUPAC7-[3,6-bis(2-methylbutan-2-yl)carbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
SMILESCCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)CC)ccc1n2-c1ccc2c(c1)C(C)(C)c1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc1-2
InChIInChI=1S/C61H58N2/c1-9-59(3,4)45-25-35-57-53(37-45)54-38-46(60(5,6)10-2)26-36-58(54)63(57)50-32-34-52-51-33-31-49(39-55(51)61(7,8)56(52)40-50)62(47-27-21-43(22-28-47)41-17-13-11-14-18-41)48-29-23-44(24-30-48)42-19-15-12-16-20-42/h11-40H,9-10H2,1-8H3
InChIKeyMREQZVPRNUZNLP-UHFFFAOYSA-N
MW819.15 g/mol
LogP17.27
Rot. Bonds10

About 7-[3,6-bis(2-methylbutan-2-yl)carbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine

7-[3,6-bis(2-methylbutan-2-yl)carbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine (PubChem CID 144745751) has the molecular formula C61H58N2 and a molecular weight of 819.15 g/mol. Its IUPAC name is 7-[3,6-bis(2-methylbutan-2-yl)carbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name7-[3,6-bis(2-methylbutan-2-yl)carbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
PubChem CID144745751
Molecular FormulaC61H58N2
Molecular Weight819.15 g/mol
Exact Mass818.46
IUPAC Name7-[3,6-bis(2-methylbutan-2-yl)carbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
SMILESCCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)CC)ccc1n2-c1ccc2c(c1)C(C)(C)c1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc1-2
InChIInChI=1S/C61H58N2/c1-9-59(3,4)45-25-35-57-53(37-45)54-38-46(60(5,6)10-2)26-36-58(54)63(57)50-32-34-52-51-33-31-49(39-55(51)61(7,8)56(52)40-50)62(47-27-21-43(22-28-47)41-17-13-11-14-18-41)48-29-23-44(24-30-48)42-19-15-12-16-20-42/h11-40H,9-10H2,1-8H3
InChIKeyMREQZVPRNUZNLP-UHFFFAOYSA-N
XLogP17.27
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.15
LogP ≤ 517.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-phenylphenyl)fluorene-2,7-diamine;7-(3,6-diphenylcarbazol-9-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158713660
9,9-dimethyl-N-phenyl-7-(3-phenylcarbazol-9-yl)-N-[3-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58390145
9,9-dimethyl-N-phenyl-7-(3-phenylcarbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 58390142
7-carbazol-9-yl-9,9-dimethyl-N,N-bis[3-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58390067
7-carbazol-9-yl-N-[4-(3,5-dimethylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134370655
6-carbazol-9-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;6-carbazol-9-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 159916730
7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;N-(4-carbazol-9-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159276490
7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 89213155
7-carbazol-9-yl-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 89213014
7-carbazol-9-yl-9,9-dimethyl-N,N-bis[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 89213136
N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155614223
N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 87412305

Frequently Asked Questions

What is the IUPAC name of 7-[3,6-bis(2-methylbutan-2-yl)carbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 7-[3,6-bis(2-methylbutan-2-yl)carbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine (CID 144745751) is 7-[3,6-bis(2-methylbutan-2-yl)carbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 7-[3,6-bis(2-methylbutan-2-yl)carbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 7-[3,6-bis(2-methylbutan-2-yl)carbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine is CCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)CC)ccc1n2-c1ccc2c(c1)C(C)(C)c1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc1-2.
What is the InChIKey of 7-[3,6-bis(2-methylbutan-2-yl)carbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine?
The InChIKey is MREQZVPRNUZNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H58N2/c1-9-59(3,4)45-25-35-57-53(37-45)54-38-46(60(5,6)10-2)26-36-58(54)63(57)50-32-34-52-51-33-31-49(39-55(51)61(7,8)56(52)40-50)62(47-27-21-43(22-28-47)41-17-13-11-14-18-41)48-29-23-44(24-30-48)42-19-15-12-16-20-42/h11-40H,9-10H2,1-8H3.
What are the key properties of 7-[3,6-bis(2-methylbutan-2-yl)carbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine?
7-[3,6-bis(2-methylbutan-2-yl)carbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine has a molecular weight of 819.15 g/mol, XLogP of 17.27, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3,6-bis(2-methylbutan-2-yl)carbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 144745751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).