6,6,12,12-tetramethyl-2-N,2-N,4-N,4-N-tetrakis(4-phenylphenyl)indeno[1,2-b]fluorene-2,4-diamine

C72H56N2 — CID 138462000

IUPAC6,6,12,12-tetramethyl-2-N,2-N,4-N,4-N-tetrakis(4-phenylphenyl)indeno[1,2-b]fluorene-2,4-diamine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1c(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)cc(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)cc1C3(C)C
InChIInChI=1S/C72H56N2/c1-71(2)65-28-18-17-27-62(65)63-47-67-64(48-66(63)71)70-68(72(67,3)4)45-61(73(57-37-29-53(30-38-57)49-19-9-5-10-20-49)58-39-31-54(32-40-58)50-21-11-6-12-22-50)46-69(70)74(59-41-33-55(34-42-59)51-23-13-7-14-24-51)60-43-35-56(36-44-60)52-25-15-8-16-26-52/h5-48H,1-4H3
InChIKeyNTHWVEGZBOFHHK-UHFFFAOYSA-N
MW949.25 g/mol
LogP19.91
Rot. Bonds10

About 6,6,12,12-tetramethyl-2-N,2-N,4-N,4-N-tetrakis(4-phenylphenyl)indeno[1,2-b]fluorene-2,4-diamine

6,6,12,12-tetramethyl-2-N,2-N,4-N,4-N-tetrakis(4-phenylphenyl)indeno[1,2-b]fluorene-2,4-diamine (PubChem CID 138462000) has the molecular formula C72H56N2 and a molecular weight of 949.25 g/mol. Its IUPAC name is 6,6,12,12-tetramethyl-2-N,2-N,4-N,4-N-tetrakis(4-phenylphenyl)indeno[1,2-b]fluorene-2,4-diamine.

Molecular Properties

Compound Name6,6,12,12-tetramethyl-2-N,2-N,4-N,4-N-tetrakis(4-phenylphenyl)indeno[1,2-b]fluorene-2,4-diamine
PubChem CID138462000
Molecular FormulaC72H56N2
Molecular Weight949.25 g/mol
Exact Mass948.44
IUPAC Name6,6,12,12-tetramethyl-2-N,2-N,4-N,4-N-tetrakis(4-phenylphenyl)indeno[1,2-b]fluorene-2,4-diamine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1c(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)cc(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)cc1C3(C)C
InChIInChI=1S/C72H56N2/c1-71(2)65-28-18-17-27-62(65)63-47-67-64(48-66(63)71)70-68(72(67,3)4)45-61(73(57-37-29-53(30-38-57)49-19-9-5-10-20-49)58-39-31-54(32-40-58)50-21-11-6-12-22-50)46-69(70)74(59-41-33-55(34-42-59)51-23-13-7-14-24-51)60-43-35-56(36-44-60)52-25-15-8-16-26-52/h5-48H,1-4H3
InChIKeyNTHWVEGZBOFHHK-UHFFFAOYSA-N
XLogP19.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.25
LogP ≤ 519.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 138455880
N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine
CID 138461764
2-N,4-N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-2-N,4-N-diphenylfluorene-2,4-diamine
CID 170410184
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
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline
CID 155095533
6,6,12,12-tetramethyl-2-naphthalen-1-yl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine
CID 155095516
9,9-dimethyl-2-phenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 169039509
N-phenyl-4-(4-phenylphenyl)-N-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]aniline
CID 138462004
10-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-10-N-phenyl-2-N-(2-phenylphenyl)-2-N-(4-phenylphenyl)indeno[1,2-b]fluorene-2,10-diamine
CID 138462008
6,6,12,12-tetramethyl-N,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 138455850
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-amine
CID 138461965

Frequently Asked Questions

What is the IUPAC name of 6,6,12,12-tetramethyl-2-N,2-N,4-N,4-N-tetrakis(4-phenylphenyl)indeno[1,2-b]fluorene-2,4-diamine?
The IUPAC name of 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) is 6,6,12,12-tetramethyl-2-N,2-N,4-N,4-N-tetrakis(4-phenylphenyl)indeno[1,2-b]fluorene-2,4-diamine.
What is the SMILES notation for 6,6,12,12-tetramethyl-2-N,2-N,4-N,4-N-tetrakis(4-phenylphenyl)indeno[1,2-b]fluorene-2,4-diamine?
The canonical SMILES for 6,6,12,12-tetramethyl-2-N,2-N,4-N,4-N-tetrakis(4-phenylphenyl)indeno[1,2-b]fluorene-2,4-diamine is CC1(C)c2ccccc2-c2cc3c(cc21)-c1c(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)cc(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)cc1C3(C)C.
What is the InChIKey of 6,6,12,12-tetramethyl-2-N,2-N,4-N,4-N-tetrakis(4-phenylphenyl)indeno[1,2-b]fluorene-2,4-diamine?
The InChIKey is NTHWVEGZBOFHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H56N2/c1-71(2)65-28-18-17-27-62(65)63-47-67-64(48-66(63)71)70-68(72(67,3)4)45-61(73(57-37-29-53(30-38-57)49-19-9-5-10-20-49)58-39-31-54(32-40-58)50-21-11-6-12-22-50)46-69(70)74(59-41-33-55(34-42-59)51-23-13-7-14-24-51)60-43-35-56(36-44-60)52-25-15-8-16-26-52/h5-48H,1-4H3.
What are the key properties of 6,6,12,12-tetramethyl-2-N,2-N,4-N,4-N-tetrakis(4-phenylphenyl)indeno[1,2-b]fluorene-2,4-diamine?
6,6,12,12-tetramethyl-2-N,2-N,4-N,4-N-tetrakis(4-phenylphenyl)indeno[1,2-b]fluorene-2,4-diamine has a molecular weight of 949.25 g/mol, XLogP of 19.91, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,12,12-tetramethyl-2-N,2-N,4-N,4-N-tetrakis(4-phenylphenyl)indeno[1,2-b]fluorene-2,4-diamine is sourced from PubChem (CID 138462000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).