7,7-dimethyl-2-[4-[4-phenanthro[9,10-c]pyridin-3-yl-2-(6-phenyl-4a,9b-dihydrodibenzothiophen-4-yl)phenyl]-3-triphenylen-2-ylphenyl]-5-phenylindeno[2,1-b]carbazole

C92H60N2S — CID 163480337

IUPAC7,7-dimethyl-2-[4-[4-phenanthro[9,10-c]pyridin-3-yl-2-(6-phenyl-4a,9b-dihydrodibenzothiophen-4-yl)phenyl]-3-triphenylen-2-ylphenyl]-5-phenylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(-c6ccc(-c7cc8c9ccccc9c9ccccc9c8cn7)cc6C6=CC=CC7c8cccc(-c9ccccc9)c8SC67)c(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C92H60N2S/c1-92(2)85-38-18-17-33-73(85)81-51-83-82-48-57(42-46-88(82)94(89(83)53-86(81)92)60-23-7-4-8-24-60)56-39-43-70(77(47-56)58-40-44-71-66-29-10-9-25-62(66)63-26-11-14-30-67(63)78(71)49-58)72-45-41-59(87-52-80-68-31-15-12-27-64(68)65-28-13-16-32-69(65)84(80)54-93-87)50-79(72)76-37-20-36-75-74-35-19-34-61(90(74)95-91(75)76)55-21-5-3-6-22-55/h3-54,75,91H,1-2H3
InChIKeyCDZRCMFYWBESHN-UHFFFAOYSA-N
MW1225.57 g/mol
LogP24.95
Rot. Bonds7

About 7,7-dimethyl-2-[4-[4-phenanthro[9,10-c]pyridin-3-yl-2-(6-phenyl-4a,9b-dihydrodibenzothiophen-4-yl)phenyl]-3-triphenylen-2-ylphenyl]-5-phenylindeno[2,1-b]carbazole

7,7-dimethyl-2-[4-[4-phenanthro[9,10-c]pyridin-3-yl-2-(6-phenyl-4a,9b-dihydrodibenzothiophen-4-yl)phenyl]-3-triphenylen-2-ylphenyl]-5-phenylindeno[2,1-b]carbazole (PubChem CID 163480337) has the molecular formula C92H60N2S and a molecular weight of 1225.57 g/mol. Its IUPAC name is 7,7-dimethyl-2-[4-[4-phenanthro[9,10-c]pyridin-3-yl-2-(6-phenyl-4a,9b-dihydrodibenzothiophen-4-yl)phenyl]-3-triphenylen-2-ylphenyl]-5-phenylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-2-[4-[4-phenanthro[9,10-c]pyridin-3-yl-2-(6-phenyl-4a,9b-dihydrodibenzothiophen-4-yl)phenyl]-3-triphenylen-2-ylphenyl]-5-phenylindeno[2,1-b]carbazole
PubChem CID163480337
Molecular FormulaC92H60N2S
Molecular Weight1225.57 g/mol
Exact Mass1224.45
IUPAC Name7,7-dimethyl-2-[4-[4-phenanthro[9,10-c]pyridin-3-yl-2-(6-phenyl-4a,9b-dihydrodibenzothiophen-4-yl)phenyl]-3-triphenylen-2-ylphenyl]-5-phenylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(-c6ccc(-c7cc8c9ccccc9c9ccccc9c8cn7)cc6C6=CC=CC7c8cccc(-c9ccccc9)c8SC67)c(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C92H60N2S/c1-92(2)85-38-18-17-33-73(85)81-51-83-82-48-57(42-46-88(82)94(89(83)53-86(81)92)60-23-7-4-8-24-60)56-39-43-70(77(47-56)58-40-44-71-66-29-10-9-25-62(66)63-26-11-14-30-67(63)78(71)49-58)72-45-41-59(87-52-80-68-31-15-12-27-64(68)65-28-13-16-32-69(65)84(80)54-93-87)50-79(72)76-37-20-36-75-74-35-19-34-61(90(74)95-91(75)76)55-21-5-3-6-22-55/h3-54,75,91H,1-2H3
InChIKeyCDZRCMFYWBESHN-UHFFFAOYSA-N
XLogP24.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001225.57
LogP ≤ 524.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7,7-dimethyl-2-[4-[4-phenanthro[9,10-c]pyridin-3-yl-2-(6-phenyl-4a,9b-dihydrodibenzothiophen-4-yl)phenyl]-3-triphenylen-2-ylphenyl]-5-phenylindeno[2,1-b]carbazole with MolForge

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Related Compounds

3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-c]pyridine;7,7-dimethyl-5-phenyl-2-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;methane;3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-c]pyridine;4-(4-phenylphenyl)-6-triphenylen-2-yldibenzothiophene;9-phenyl-3-(3-triphenylen-2-ylphenyl)carbazole;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;4-triphenylen-2-yldibenzothiophene;9-(3-triphenylen-2-ylphenyl)carbazole
CID 162165414
7,7-dimethyl-5-phenyl-2-(4-phenylnaphthalen-1-yl)indeno[2,1-b]carbazole
CID 170395420
3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-c]pyridine;7,7-dimethyl-5-phenyl-2-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,2,3,4,8b,12a-hexahydrophenanthro[9,10-c]pyridine;4-(4-phenylphenyl)-6-triphenylen-2-yldibenzothiophene;9-phenyl-3-(3-triphenylen-2-ylphenyl)carbazole;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;4-triphenylen-2-yldibenzothiophene;9-(3-triphenylen-2-ylphenyl)carbazole;11-(3-triphenylen-2-ylphenyl)phenanthro[9,10-b]pyridine
CID 163748112
3-[3-(9,9-dimethylfluoren-2-yl)-5-triphenylen-2-ylphenyl]-6,9-diphenylcarbazole;9-phenyl-3-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole;9-phenyl-3-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 161477367
28,28-dimethyl-32-(3-triphenylen-2-ylphenyl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene
CID 122527979
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
7,7-dimethyl-5-phenyl-2-(10-phenylanthracen-9-yl)indeno[2,1-b]carbazole
CID 144609405
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole
CID 118919744
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;7,7-dimethyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;11-phenyl-12-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
CID 160662276
5-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 121465317

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-[4-[4-phenanthro[9,10-c]pyridin-3-yl-2-(6-phenyl-4a,9b-dihydrodibenzothiophen-4-yl)phenyl]-3-triphenylen-2-ylphenyl]-5-phenylindeno[2,1-b]carbazole?
The IUPAC name of 7,7-dimethyl-2-[4-[4-phenanthro[9,10-c]pyridin-3-yl-2-(6-phenyl-4a,9b-dihydrodibenzothiophen-4-yl)phenyl]-3-triphenylen-2-ylphenyl]-5-phenylindeno[2,1-b]carbazole (CID 163480337) is 7,7-dimethyl-2-[4-[4-phenanthro[9,10-c]pyridin-3-yl-2-(6-phenyl-4a,9b-dihydrodibenzothiophen-4-yl)phenyl]-3-triphenylen-2-ylphenyl]-5-phenylindeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-2-[4-[4-phenanthro[9,10-c]pyridin-3-yl-2-(6-phenyl-4a,9b-dihydrodibenzothiophen-4-yl)phenyl]-3-triphenylen-2-ylphenyl]-5-phenylindeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dimethyl-2-[4-[4-phenanthro[9,10-c]pyridin-3-yl-2-(6-phenyl-4a,9b-dihydrodibenzothiophen-4-yl)phenyl]-3-triphenylen-2-ylphenyl]-5-phenylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(-c6ccc(-c7cc8c9ccccc9c9ccccc9c8cn7)cc6C6=CC=CC7c8cccc(-c9ccccc9)c8SC67)c(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 7,7-dimethyl-2-[4-[4-phenanthro[9,10-c]pyridin-3-yl-2-(6-phenyl-4a,9b-dihydrodibenzothiophen-4-yl)phenyl]-3-triphenylen-2-ylphenyl]-5-phenylindeno[2,1-b]carbazole?
The InChIKey is CDZRCMFYWBESHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H60N2S/c1-92(2)85-38-18-17-33-73(85)81-51-83-82-48-57(42-46-88(82)94(89(83)53-86(81)92)60-23-7-4-8-24-60)56-39-43-70(77(47-56)58-40-44-71-66-29-10-9-25-62(66)63-26-11-14-30-67(63)78(71)49-58)72-45-41-59(87-52-80-68-31-15-12-27-64(68)65-28-13-16-32-69(65)84(80)54-93-87)50-79(72)76-37-20-36-75-74-35-19-34-61(90(74)95-91(75)76)55-21-5-3-6-22-55/h3-54,75,91H,1-2H3.
What are the key properties of 7,7-dimethyl-2-[4-[4-phenanthro[9,10-c]pyridin-3-yl-2-(6-phenyl-4a,9b-dihydrodibenzothiophen-4-yl)phenyl]-3-triphenylen-2-ylphenyl]-5-phenylindeno[2,1-b]carbazole?
7,7-dimethyl-2-[4-[4-phenanthro[9,10-c]pyridin-3-yl-2-(6-phenyl-4a,9b-dihydrodibenzothiophen-4-yl)phenyl]-3-triphenylen-2-ylphenyl]-5-phenylindeno[2,1-b]carbazole has a molecular weight of 1225.57 g/mol, XLogP of 24.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-[4-[4-phenanthro[9,10-c]pyridin-3-yl-2-(6-phenyl-4a,9b-dihydrodibenzothiophen-4-yl)phenyl]-3-triphenylen-2-ylphenyl]-5-phenylindeno[2,1-b]carbazole is sourced from PubChem (CID 163480337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).