2-N,8-N-bis(4-tert-butylphenyl)-11,11-dimethyl-2-N,8-N-bis(4-phenylphenyl)benzo[b]fluorene-2,8-diamine

C63H58N2 — CID 122416670

IUPAC2-N,8-N-bis(4-tert-butylphenyl)-11,11-dimethyl-2-N,8-N-bis(4-phenylphenyl)benzo[b]fluorene-2,8-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(C)(C)c2cc4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(C(C)(C)C)cc5)ccc4cc2-3)cc1
InChIInChI=1S/C63H58N2/c1-61(2,3)49-24-33-53(34-25-49)64(51-28-19-45(20-29-51)43-15-11-9-12-16-43)55-32-23-47-40-58-57-38-37-56(42-60(57)63(7,8)59(58)41-48(47)39-55)65(54-35-26-50(27-36-54)62(4,5)6)52-30-21-46(22-31-52)44-17-13-10-14-18-44/h9-42H,1-8H3
InChIKeyZAWKAASZCNTLLB-UHFFFAOYSA-N
MW843.17 g/mol
LogP18.01
Rot. Bonds8

About 2-N,8-N-bis(4-tert-butylphenyl)-11,11-dimethyl-2-N,8-N-bis(4-phenylphenyl)benzo[b]fluorene-2,8-diamine

2-N,8-N-bis(4-tert-butylphenyl)-11,11-dimethyl-2-N,8-N-bis(4-phenylphenyl)benzo[b]fluorene-2,8-diamine (PubChem CID 122416670) has the molecular formula C63H58N2 and a molecular weight of 843.17 g/mol. Its IUPAC name is 2-N,8-N-bis(4-tert-butylphenyl)-11,11-dimethyl-2-N,8-N-bis(4-phenylphenyl)benzo[b]fluorene-2,8-diamine.

Molecular Properties

Compound Name2-N,8-N-bis(4-tert-butylphenyl)-11,11-dimethyl-2-N,8-N-bis(4-phenylphenyl)benzo[b]fluorene-2,8-diamine
PubChem CID122416670
Molecular FormulaC63H58N2
Molecular Weight843.17 g/mol
Exact Mass842.46
IUPAC Name2-N,8-N-bis(4-tert-butylphenyl)-11,11-dimethyl-2-N,8-N-bis(4-phenylphenyl)benzo[b]fluorene-2,8-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(C)(C)c2cc4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(C(C)(C)C)cc5)ccc4cc2-3)cc1
InChIInChI=1S/C63H58N2/c1-61(2,3)49-24-33-53(34-25-49)64(51-28-19-45(20-29-51)43-15-11-9-12-16-43)55-32-23-47-40-58-57-38-37-56(42-60(57)63(7,8)59(58)41-48(47)39-55)65(54-35-26-50(27-36-54)62(4,5)6)52-30-21-46(22-31-52)44-17-13-10-14-18-44/h9-42H,1-8H3
InChIKeyZAWKAASZCNTLLB-UHFFFAOYSA-N
XLogP18.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.17
LogP ≤ 518.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

11,11-dimethyl-N-phenyl-N-(4-phenylphenyl)benzo[b]fluoren-7-amine
CID 156554249
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-phenylbenzo[b]fluoren-7-amine
CID 156554324
9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,14,18,18-tetramethylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(4-phenylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetraphenylheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 157364390
7-[5-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]benzo[c]phenanthren-8-yl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-tert-butylphenyl)-6-[5-[6-(N-(4-tert-butylphenyl)anilino)naphthalen-2-yl]benzo[c]phenanthren-8-yl]-N-phenylnaphthalen-2-amine;N-(4-methylphenyl)-6-[5-[6-(N-(4-methylphenyl)anilino)naphthalen-2-yl]benzo[c]phenanthren-8-yl]-N-phenylnaphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-6-[5-[6-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]benzo[c]phenanthren-8-yl]naphthalen-2-amine
CID 159226758
N-(4-bromophenyl)-N-[4-(4-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 142719883
9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N-phenyl-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine
CID 118500358
9,9-dimethyl-6-naphthalen-2-yl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 130250393
7-[(E)-2-[7-(4-tert-butyl-N-naphthalen-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89074720
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500262
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118428411
9,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 139352574

Frequently Asked Questions

What is the IUPAC name of 2-N,8-N-bis(4-tert-butylphenyl)-11,11-dimethyl-2-N,8-N-bis(4-phenylphenyl)benzo[b]fluorene-2,8-diamine?
The IUPAC name of 2-N,8-N-bis(4-tert-butylphenyl)-11,11-dimethyl-2-N,8-N-bis(4-phenylphenyl)benzo[b]fluorene-2,8-diamine (CID 122416670) is 2-N,8-N-bis(4-tert-butylphenyl)-11,11-dimethyl-2-N,8-N-bis(4-phenylphenyl)benzo[b]fluorene-2,8-diamine.
What is the SMILES notation for 2-N,8-N-bis(4-tert-butylphenyl)-11,11-dimethyl-2-N,8-N-bis(4-phenylphenyl)benzo[b]fluorene-2,8-diamine?
The canonical SMILES for 2-N,8-N-bis(4-tert-butylphenyl)-11,11-dimethyl-2-N,8-N-bis(4-phenylphenyl)benzo[b]fluorene-2,8-diamine is CC(C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(C)(C)c2cc4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(C(C)(C)C)cc5)ccc4cc2-3)cc1.
What is the InChIKey of 2-N,8-N-bis(4-tert-butylphenyl)-11,11-dimethyl-2-N,8-N-bis(4-phenylphenyl)benzo[b]fluorene-2,8-diamine?
The InChIKey is ZAWKAASZCNTLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H58N2/c1-61(2,3)49-24-33-53(34-25-49)64(51-28-19-45(20-29-51)43-15-11-9-12-16-43)55-32-23-47-40-58-57-38-37-56(42-60(57)63(7,8)59(58)41-48(47)39-55)65(54-35-26-50(27-36-54)62(4,5)6)52-30-21-46(22-31-52)44-17-13-10-14-18-44/h9-42H,1-8H3.
What are the key properties of 2-N,8-N-bis(4-tert-butylphenyl)-11,11-dimethyl-2-N,8-N-bis(4-phenylphenyl)benzo[b]fluorene-2,8-diamine?
2-N,8-N-bis(4-tert-butylphenyl)-11,11-dimethyl-2-N,8-N-bis(4-phenylphenyl)benzo[b]fluorene-2,8-diamine has a molecular weight of 843.17 g/mol, XLogP of 18.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,8-N-bis(4-tert-butylphenyl)-11,11-dimethyl-2-N,8-N-bis(4-phenylphenyl)benzo[b]fluorene-2,8-diamine is sourced from PubChem (CID 122416670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).