N-[2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-3-yl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]phenyl]-9,9-dimethyl-N-phenyl-3,4-dihydrofluoren-3-amine

C60H52N2 — CID 146568626

IUPACN-[2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-3-yl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]phenyl]-9,9-dimethyl-N-phenyl-3,4-dihydrofluoren-3-amine
SMILESCC1(C)C2=C(CC(N(c3ccccc3)c3ccccc3C3C=CC=C(c4ccc5c(c4)c4ccccc4n5C4=CC5c6ccccc6C(C)(C)C5C=C4)C3)C=C2)c2ccccc21
InChIInChI=1S/C60H52N2/c1-59(2)52-25-12-8-22-46(52)49-37-43(30-32-54(49)59)61(42-19-6-5-7-20-42)56-27-14-10-21-45(56)41-18-16-17-39(35-41)40-29-34-58-51(36-40)48-24-11-15-28-57(48)62(58)44-31-33-55-50(38-44)47-23-9-13-26-53(47)60(55,3)4/h5-34,36,38,41,43,50,55H,35,37H2,1-4H3
InChIKeyKJGAKAQQWCKPOY-UHFFFAOYSA-N
MW801.09 g/mol
LogP15.24
Rot. Bonds6

About N-[2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-3-yl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]phenyl]-9,9-dimethyl-N-phenyl-3,4-dihydrofluoren-3-amine

N-[2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-3-yl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]phenyl]-9,9-dimethyl-N-phenyl-3,4-dihydrofluoren-3-amine (PubChem CID 146568626) has the molecular formula C60H52N2 and a molecular weight of 801.09 g/mol. Its IUPAC name is N-[2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-3-yl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]phenyl]-9,9-dimethyl-N-phenyl-3,4-dihydrofluoren-3-amine.

Molecular Properties

Compound NameN-[2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-3-yl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]phenyl]-9,9-dimethyl-N-phenyl-3,4-dihydrofluoren-3-amine
PubChem CID146568626
Molecular FormulaC60H52N2
Molecular Weight801.09 g/mol
Exact Mass800.41
IUPAC NameN-[2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-3-yl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]phenyl]-9,9-dimethyl-N-phenyl-3,4-dihydrofluoren-3-amine
SMILESCC1(C)C2=C(CC(N(c3ccccc3)c3ccccc3C3C=CC=C(c4ccc5c(c4)c4ccccc4n5C4=CC5c6ccccc6C(C)(C)C5C=C4)C3)C=C2)c2ccccc21
InChIInChI=1S/C60H52N2/c1-59(2)52-25-12-8-22-46(52)49-37-43(30-32-54(49)59)61(42-19-6-5-7-20-42)56-27-14-10-21-45(56)41-18-16-17-39(35-41)40-29-34-58-51(36-40)48-24-11-15-28-57(48)62(58)44-31-33-55-50(38-44)47-23-9-13-26-53(47)60(55,3)4/h5-34,36,38,41,43,50,55H,35,37H2,1-4H3
InChIKeyKJGAKAQQWCKPOY-UHFFFAOYSA-N
XLogP15.24
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.09
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-3-yl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]phenyl]-9,9-dimethyl-N-phenyl-3,4-dihydrofluoren-3-amine with MolForge

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Related Compounds

3-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-quinolin-3-ylcarbazole
CID 163741949
(4-methylcyclohexa-1,3-dien-1-yl)benzene;2-methyl-9-phenylcarbazole;3,9,9-trimethyl-4a,9a-dihydrofluorene
CID 144810412
10,10-dimethyl-N,5-bis(4-phenylphenyl)-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)indeno[1,2-b]indol-8-amine
CID 137396964
5-[11-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)benzo[a]carbazol-8-yl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 145204311
6,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-5,6-dihydrofluoren-2-amine
CID 138737474
4-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 70917255
9,9-dimethyl-N-[6-methyl-4-(9-phenylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-N-phenylfluoren-2-amine
CID 134389254
N-(9,9-dimethyl-2,3-dihydrofluoren-3-yl)-N,9-diphenylcarbazol-3-amine
CID 70886195
12,12-dimethyl-11-[4-phenyl-6-[3-[5-[4-(3-phenylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole
CID 163498883
N-(4-tert-butylphenyl)-9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine
CID 140910759
4-N-cyclohexa-1,5-dien-1-yl-4-N-(9,9-dimethylfluoren-2-yl)-1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,4-diamine
CID 66837995
2,3,3-trimethyl-1-(2-methylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4,5-dihydroinden-5-amine
CID 144856777

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-3-yl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]phenyl]-9,9-dimethyl-N-phenyl-3,4-dihydrofluoren-3-amine?
The IUPAC name of N-[2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-3-yl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]phenyl]-9,9-dimethyl-N-phenyl-3,4-dihydrofluoren-3-amine (CID 146568626) is N-[2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-3-yl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]phenyl]-9,9-dimethyl-N-phenyl-3,4-dihydrofluoren-3-amine.
What is the SMILES notation for N-[2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-3-yl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]phenyl]-9,9-dimethyl-N-phenyl-3,4-dihydrofluoren-3-amine?
The canonical SMILES for N-[2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-3-yl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]phenyl]-9,9-dimethyl-N-phenyl-3,4-dihydrofluoren-3-amine is CC1(C)C2=C(CC(N(c3ccccc3)c3ccccc3C3C=CC=C(c4ccc5c(c4)c4ccccc4n5C4=CC5c6ccccc6C(C)(C)C5C=C4)C3)C=C2)c2ccccc21.
What is the InChIKey of N-[2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-3-yl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]phenyl]-9,9-dimethyl-N-phenyl-3,4-dihydrofluoren-3-amine?
The InChIKey is KJGAKAQQWCKPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H52N2/c1-59(2)52-25-12-8-22-46(52)49-37-43(30-32-54(49)59)61(42-19-6-5-7-20-42)56-27-14-10-21-45(56)41-18-16-17-39(35-41)40-29-34-58-51(36-40)48-24-11-15-28-57(48)62(58)44-31-33-55-50(38-44)47-23-9-13-26-53(47)60(55,3)4/h5-34,36,38,41,43,50,55H,35,37H2,1-4H3.
What are the key properties of N-[2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-3-yl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]phenyl]-9,9-dimethyl-N-phenyl-3,4-dihydrofluoren-3-amine?
N-[2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-3-yl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]phenyl]-9,9-dimethyl-N-phenyl-3,4-dihydrofluoren-3-amine has a molecular weight of 801.09 g/mol, XLogP of 15.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-3-yl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]phenyl]-9,9-dimethyl-N-phenyl-3,4-dihydrofluoren-3-amine is sourced from PubChem (CID 146568626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).