6,6,12,12-tetramethyl-N,N-diphenyl-8-(2-phenylethyl)indeno[1,2-b]fluoren-2-amine

C44H39N — CID 145202751

IUPAC6,6,12,12-tetramethyl-N,N-diphenyl-8-(2-phenylethyl)indeno[1,2-b]fluoren-2-amine
SMILESCC1(C)c2cc(CCc3ccccc3)ccc2-c2cc3c(cc21)-c1ccc(N(c2ccccc2)c2ccccc2)cc1C3(C)C
InChIInChI=1S/C44H39N/c1-43(2)39-26-31(21-20-30-14-8-5-9-15-30)22-24-35(39)37-28-42-38(29-41(37)43)36-25-23-34(27-40(36)44(42,3)4)45(32-16-10-6-11-17-32)33-18-12-7-13-19-33/h5-19,22-29H,20-21H2,1-4H3
InChIKeyMPESKOBTWBHSAW-UHFFFAOYSA-N
MW581.80 g/mol
LogP11.55
Rot. Bonds6

About 6,6,12,12-tetramethyl-N,N-diphenyl-8-(2-phenylethyl)indeno[1,2-b]fluoren-2-amine

6,6,12,12-tetramethyl-N,N-diphenyl-8-(2-phenylethyl)indeno[1,2-b]fluoren-2-amine (PubChem CID 145202751) has the molecular formula C44H39N and a molecular weight of 581.80 g/mol. Its IUPAC name is 6,6,12,12-tetramethyl-N,N-diphenyl-8-(2-phenylethyl)indeno[1,2-b]fluoren-2-amine.

Molecular Properties

Compound Name6,6,12,12-tetramethyl-N,N-diphenyl-8-(2-phenylethyl)indeno[1,2-b]fluoren-2-amine
PubChem CID145202751
Molecular FormulaC44H39N
Molecular Weight581.80 g/mol
Exact Mass581.31
IUPAC Name6,6,12,12-tetramethyl-N,N-diphenyl-8-(2-phenylethyl)indeno[1,2-b]fluoren-2-amine
SMILESCC1(C)c2cc(CCc3ccccc3)ccc2-c2cc3c(cc21)-c1ccc(N(c2ccccc2)c2ccccc2)cc1C3(C)C
InChIInChI=1S/C44H39N/c1-43(2)39-26-31(21-20-30-14-8-5-9-15-30)22-24-35(39)37-28-42-38(29-41(37)43)36-25-23-34(27-40(36)44(42,3)4)45(32-16-10-6-11-17-32)33-18-12-7-13-19-33/h5-19,22-29H,20-21H2,1-4H3
InChIKeyMPESKOBTWBHSAW-UHFFFAOYSA-N
XLogP11.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.80
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6,6,12,12-tetramethyl-N,N-diphenyl-8-(2-phenylethyl)indeno[1,2-b]fluoren-2-amine with MolForge

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Related Compounds

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CID 20580158
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10,10,20,20,21,21-hexamethyl-N,N-diphenylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-amine
CID 163520415
4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]-N-[4-[4-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]-N-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]anilino]phenyl]phenyl]-N-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]aniline
CID 58876409
7-[9,9-dimethyl-7-(N-[4-(2-phenylethenyl)phenyl]anilino)fluoren-2-yl]-9,9-dimethyl-N-phenyl-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine;N-[4-(2-phenylethenyl)phenyl]-N-[4-[4-[4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]anilino]phenyl]phenyl]-4-(2-phenylethyl)aniline;N-phenyl-N-[4-(2-phenylethenyl)phenyl]-4-[4-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]naphthalen-1-yl]phenyl]naphthalen-1-amine;6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(2-phenylethenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine
CID 158292737
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine
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11,11,12,12-tetramethyl-2-N,9-N,9-N-triphenyl-2-N-[3-[4-(N-[6,6,12,12-tetramethyl-8-(N-phenylanilino)indeno[1,2-b]fluoren-2-yl]anilino)phenyl]phenyl]indeno[2,1-a]fluorene-2,9-diamine
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6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine
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Frequently Asked Questions

What is the IUPAC name of 6,6,12,12-tetramethyl-N,N-diphenyl-8-(2-phenylethyl)indeno[1,2-b]fluoren-2-amine?
The IUPAC name of 6,6,12,12-tetramethyl-N,N-diphenyl-8-(2-phenylethyl)indeno[1,2-b]fluoren-2-amine (CID 145202751) is 6,6,12,12-tetramethyl-N,N-diphenyl-8-(2-phenylethyl)indeno[1,2-b]fluoren-2-amine.
What is the SMILES notation for 6,6,12,12-tetramethyl-N,N-diphenyl-8-(2-phenylethyl)indeno[1,2-b]fluoren-2-amine?
The canonical SMILES for 6,6,12,12-tetramethyl-N,N-diphenyl-8-(2-phenylethyl)indeno[1,2-b]fluoren-2-amine is CC1(C)c2cc(CCc3ccccc3)ccc2-c2cc3c(cc21)-c1ccc(N(c2ccccc2)c2ccccc2)cc1C3(C)C.
What is the InChIKey of 6,6,12,12-tetramethyl-N,N-diphenyl-8-(2-phenylethyl)indeno[1,2-b]fluoren-2-amine?
The InChIKey is MPESKOBTWBHSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H39N/c1-43(2)39-26-31(21-20-30-14-8-5-9-15-30)22-24-35(39)37-28-42-38(29-41(37)43)36-25-23-34(27-40(36)44(42,3)4)45(32-16-10-6-11-17-32)33-18-12-7-13-19-33/h5-19,22-29H,20-21H2,1-4H3.
What are the key properties of 6,6,12,12-tetramethyl-N,N-diphenyl-8-(2-phenylethyl)indeno[1,2-b]fluoren-2-amine?
6,6,12,12-tetramethyl-N,N-diphenyl-8-(2-phenylethyl)indeno[1,2-b]fluoren-2-amine has a molecular weight of 581.80 g/mol, XLogP of 11.55, 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-N,N-diphenyl-8-(2-phenylethyl)indeno[1,2-b]fluoren-2-amine is sourced from PubChem (CID 145202751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).