6,6,12,12-tetramethyl-2-naphthalen-1-yl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine

C58H45N — CID 155095516

IUPAC6,6,12,12-tetramethyl-2-naphthalen-1-yl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1c(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)cc(-c2cccc4ccccc24)cc1C3(C)C
InChIInChI=1S/C58H45N/c1-57(2)51-25-14-13-23-48(51)49-36-53-50(37-52(49)57)56-54(58(53,3)4)34-43(47-24-15-21-42-20-11-12-22-46(42)47)35-55(56)59(44-30-26-40(27-31-44)38-16-7-5-8-17-38)45-32-28-41(29-33-45)39-18-9-6-10-19-39/h5-37H,1-4H3
InChIKeyGTIXRMCSMUWFAY-UHFFFAOYSA-N
MW756.01 g/mol
LogP15.92
Rot. Bonds6

About 6,6,12,12-tetramethyl-2-naphthalen-1-yl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine

6,6,12,12-tetramethyl-2-naphthalen-1-yl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine (PubChem CID 155095516) has the molecular formula C58H45N and a molecular weight of 756.01 g/mol. Its IUPAC name is 6,6,12,12-tetramethyl-2-naphthalen-1-yl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine.

Molecular Properties

Compound Name6,6,12,12-tetramethyl-2-naphthalen-1-yl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine
PubChem CID155095516
Molecular FormulaC58H45N
Molecular Weight756.01 g/mol
Exact Mass755.36
IUPAC Name6,6,12,12-tetramethyl-2-naphthalen-1-yl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1c(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)cc(-c2cccc4ccccc24)cc1C3(C)C
InChIInChI=1S/C58H45N/c1-57(2)51-25-14-13-23-48(51)49-36-53-50(37-52(49)57)56-54(58(53,3)4)34-43(47-24-15-21-42-20-11-12-22-46(42)47)35-55(56)59(44-30-26-40(27-31-44)38-16-7-5-8-17-38)45-32-28-41(29-33-45)39-18-9-6-10-19-39/h5-37H,1-4H3
InChIKeyGTIXRMCSMUWFAY-UHFFFAOYSA-N
XLogP15.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.01
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6,6,12,12-tetramethyl-2-N,2-N,4-N,4-N-tetrakis(4-phenylphenyl)indeno[1,2-b]fluorene-2,4-diamine
CID 138462000
12,12,22,22-tetramethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaen-17-amine
CID 155095526
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050517
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-4-amine
CID 138461967
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 168846073
N-[4-(9,9-dimethyl-4-phenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 131994078
9,9-dimethyl-N-(4-naphthalen-1-yl-2,6-diphenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine
CID 155181943
9,9-dimethyl-7-naphthalen-1-yl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050412
9,9-dimethyl-N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenylfluoren-2-amine
CID 167234692
N-(2-benzo[g]phenanthren-4-yl-9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine
CID 167182132
N-[4-[2,5-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 176611444
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-11,11-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]fluoren-6-amine
CID 164929576

Frequently Asked Questions

What is the IUPAC name of 6,6,12,12-tetramethyl-2-naphthalen-1-yl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine?
The IUPAC name of 6,6,12,12-tetramethyl-2-naphthalen-1-yl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine (CID 155095516) is 6,6,12,12-tetramethyl-2-naphthalen-1-yl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine.
What is the SMILES notation for 6,6,12,12-tetramethyl-2-naphthalen-1-yl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine?
The canonical SMILES for 6,6,12,12-tetramethyl-2-naphthalen-1-yl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine is CC1(C)c2ccccc2-c2cc3c(cc21)-c1c(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)cc(-c2cccc4ccccc24)cc1C3(C)C.
What is the InChIKey of 6,6,12,12-tetramethyl-2-naphthalen-1-yl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine?
The InChIKey is GTIXRMCSMUWFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H45N/c1-57(2)51-25-14-13-23-48(51)49-36-53-50(37-52(49)57)56-54(58(53,3)4)34-43(47-24-15-21-42-20-11-12-22-46(42)47)35-55(56)59(44-30-26-40(27-31-44)38-16-7-5-8-17-38)45-32-28-41(29-33-45)39-18-9-6-10-19-39/h5-37H,1-4H3.
What are the key properties of 6,6,12,12-tetramethyl-2-naphthalen-1-yl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine?
6,6,12,12-tetramethyl-2-naphthalen-1-yl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine has a molecular weight of 756.01 g/mol, XLogP of 15.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,12,12-tetramethyl-2-naphthalen-1-yl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine is sourced from PubChem (CID 155095516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).